Cas no 33204-46-5 (1,2-Butanediol,2-methyl-, (2S)-)
33204-46-5 structure
Product Name:1,2-Butanediol,2-methyl-, (2S)-
CAS No:33204-46-5
MF:C5H12O2
MW:104.147582054138
CID:294100
PubChem ID:57348919
Update Time:2025-04-19
1,2-Butanediol,2-methyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Butanediol,2-methyl-, (2S)-
- (-)-2-Methyl-1,2-butanediol
- (2R)-(+)-2-methyl-1,2-butanediol
- (2R)-2-methyl-1,2-butanediol
- (2S)-2-METHYL-1,2-BUTANEDIOL
- (R)-(+)-2-methyl-1,3-butand
- (R)-2-methylbutane-1,2-diol
- (R)-2-methyl-butane-1,2-diol
- (S)-(-)-2-Methyl-1,2-butanediol
- (S)-2-Methyl-1,2-butanediol
- (S)-2-METHYLBUTANE-1,2-DIOL
- 1,2-Butanediol, 2-methyl-, (S)-(-)- (8CI)
- 1,2-Butanediol,2-methyl-, (S)-
- AB26212
- AG-F-11771
- CTK4H0155
- SCHEMBL10454231
- 33204-46-5
-
- Inchi: 1S/C5H12O2/c1-3-5(2,7)4-6/h6-7H,3-4H2,1-2H3/t5-/m0/s1
- InChI Key: DOPZLYNWNJHAOS-YFKPBYRVSA-N
- SMILES: O[C@](C)(CO)CC
Computed Properties
- Exact Mass: 104.083729621g/mol
- Monoisotopic Mass: 104.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 54
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46000
- LogP: 0.13970
1,2-Butanediol,2-methyl-, (2S)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
33204-46-5 (1,2-Butanediol,2-methyl-, (2S)-) Related Products
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