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Formaldehyde, polymer with 4-(1,1-dimethylethyl)phenol, 3-methylphenol and 4-methylphenol 分子構造

Formaldehyde, polymer with 4-(1,1-dimethylethyl)phenol, 3-methylphenol and 4-methylphenol 分子構造

Formaldehyde, polymer with 4-(1,1-dimethylethyl)phenol, 3-methylphenol and 4-methylphenol

: IUPAC名称：4-tert-butylphenol;formaldehyde;3-methylphenol;4-methylphenol; CAS登録番号: 65733-81-5; 分子：396.527

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1. 名前と識別子

: 1.1 商品名; Formaldehyde, polymer with 4-(1,1-dimethylethyl)phenol, 3-methylphenol and 4-methylphenol; 1.2 同義語; Formaldehyde, polymer with 4-(1,1-dimethylethyl)phenol, 3-methylphenol and 4-methylphenol

1.3 CAS登録番号: 65733-81-5

1.4 CID: 171689

1.5 分子式: C25H32O4 (isomer)

1.6 Inchi: InChI=1S/C10H14O.2C7H8O.CH2O/c1-10(2,3)8-4-6-9(11)7-5-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-2/h4-7,11H,1-3H3;2*2-5,8H,1H3;1H2

1.7 InchiKey: KDNOSLNUHIPJMU-UHFFFAOYSA-N

1.8 標準的な SMILES: CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O

1.9 異性体 SMILES: CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O

2. 性質

2.1 PSA: 77.76000

2.2 logP: 6.54190

3. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. 計算化学データ

分子: 396.527g/mol
分子式: C₂₅H₃₂O₄
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 396.23005950
Monoisotopic Mass: 396.23005950
Complexity: 251
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 77.8
Heavy Atom Count: 29
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 4
CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgAACAAADgSAmAIyBoAAAgCIAiBCgAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwNAPoAABAAAAAABAAAIAAAAAAAAAAAAAAA==

6. 実際の製品情報

Formaldehyde, polymer with methylphenol and phenol

9040-38-4 Formaldehyde, polymer with methylphenol and phenol

Formaldehyde, polymer with ammonia, 2-methylphenol and phenol

55185-45-0 Formaldehyde, polymer with ammonia, 2-methylphenol and phenol

benzenesulfonic acid, 4-amino-, monosodium salt,polymer with formaldehyde and methylphenol

63784-89-4 benzenesulfonic acid, 4-amino-, monosodium salt,polymer with formaldehyde and methylphenol

Rosin, polymer with formaldehyde and phenol

67700-45-2 Rosin, polymer with formaldehyde and phenol

Phenol, polymer with formaldehyde, sulfomethylated

68442-15-9 Phenol, polymer with formaldehyde, sulfomethylated

Urea, polymer with formaldehyde and phenol

25104-55-6 Urea, polymer with formaldehyde and phenol

Phenol, polymer with formaldehyde, sulfonated

70892-67-0 Phenol, polymer with formaldehyde, sulfonated

最近の更新 : 2637370-86-4 1566326-43-9 1566722-26-6 1565025-23-1 1564889-53-7 1566621-11-1 1566247-71-9 1566157-97-8 1566246-39-6 1564860-12-3

ディレクトリ

1. 名前と識別子

: 1.1 商品名; 1.2 同義語; 1.3 CAS登録番号; 1.4 CID; 1.5 分子式; 1.6 Inchi; 1.7 InchiKey; 1.8 標準的な SMILES; 1.9 異性体 SMILES

2. 性質

: 2.1 PSA; 2.2 logP

4.計算化学データ