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Phenol, polymer with formaldehyde, sulfomethylated structure

Phenol, polymer with formaldehyde, sulfomethylated structure

Phenol, polymer with formaldehyde, sulfomethylated

: Iupac Name：formaldehyde;phenol; CAS No.: 68442-15-9; Molecular Weight：124.14; Modify Date.: 2022-11-01 07:20

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1. Names and Identifiers

: 1.1 Name; Phenol, polymer with formaldehyde, sulfomethylated; 1.2 Synonyms; Phenol,polymer with formaldehyde,sulfomethylated Sulfomethyl-phenolic resin (SMP)

1.3 CAS No.: 68442-15-9

1.4 CID: 172281

1.5 Molecular Formula: C7H8O2 (isomer)

1.6 Inchi: InChI=1S/C6H6O.CH2O/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;1H2

1.7 InChIkey: SLGWESQGEUXWJQ-UHFFFAOYSA-N

1.8 Canonical Smiles: C=O.C1=CC=C(C=C1)O

1.9 Isomers Smiles: C=O.C1=CC=C(C=C1)O

2. Properties

2.1 Precise Quality: 124.052429494

3. Computational chemical data

Molecular Weight: 124.14g/mol
Molecular Formula: C₇H₈O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 124.052429494
Monoisotopic Mass: 124.052429494
Complexity: 48.1
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 37.3
Heavy Atom Count: 9
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: 2
CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAACASAkAIwBoAAAgCIACBCgAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Directory

1. Names and Identifiers

: 1.1 Name; 1.2 Synonyms; 1.3 CAS No.; 1.4 CID; 1.5 Molecular Formula; 1.6 Inchi; 1.7 InChIkey; 1.8 Canonical Smiles; 1.9 Isomers Smiles

2. Properties

: 2.1 Precise Quality

3.Computational chemical data

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