3D Mol Similar

1, 2- 순환 2 알코올.

: IUPAC이름：cyclopentane-1,2-diol; CAS 레지스트리 번호: 4065-92-3; 분자 무게：102.1317

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 1, 2- 순환 2 알코올.; 1.2 동의어; 1,2-Cyclopentandiol

1.3 CAS 레지스트리 번호: 4065-92-3

1.4 CID: 95497

1.5 분자식: C5H10O2 (isomer)

1.6 Inchi: InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2

1.7 InchiKey: VCVOSERVUCJNPR-UHFFFAOYSA-N

1.8 교회법에 의거 한 SMILES: C1CC(C(C1)O)O

1.9 이성질체 SMILES: C1CC(C(C1)O)O

2. 속성

2.1 PSA: 40.46

3. MSDS 정보

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. 합성 선형

4065-92-3Total: 19 합성 선형

142-29-0 64 공급자

4065-92-3 4 공급자

문헌:
Malla Reddy; Srinivasulu; Venkat Reddy; Narasimhulu; Venkateswarlu Tetrahedron Letters, 2006 , vol. 47, # 30 p. 5285 - 5288
공장: ~98%

285-67-6 121 공급자

4065-92-3 4 공급자

문헌:
Singhal, Sweety; Jain, Suman L.; Sain, Bir Synthetic Communications, 2011 , vol. 41, # 12 p. 1829 - 1837
공장: ~94%

142-29-0 64 공급자

285-67-6 121 공급자

4065-92-3 4 공급자

문헌:
Meshechkina; Mel'Nik; Rybina; Srednev; Shevchuk Russian Journal of Applied Chemistry, 2012 , vol. 85, # 4 p. 661 - 665
공장: ~94%

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5. 전구체 및 제품

업스트림 제품:

64-17-5

67-63-0

285-67-6

933-06-2

7732-18-5

142-29-0

75-65-0

64-19-7

29974-65-0

67-56-1

다운스트림 제품 :

37854-32-3

285-67-6

35394-09-3

26620-22-4

6. 화학 데이터 계산

분자량: 102.133g/mol
분자식: C₅H₁₀O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 102.068079557
Monoisotopic Mass: 102.068079557
Complexity: 55.1
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 40.5
Heavy Atom Count: 7
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAEAAABAACAIAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAA==

7. 권장 공급업체

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1,2-Cyclopentanediol

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Time: 2024/06/17

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1,2-Cyclopentanediol