Cas no 24347-56-6 (1,2-Butanediol, 3-methyl-, (2S)-)
24347-56-6 structure
Product Name:1,2-Butanediol, 3-methyl-, (2S)-
CAS No:24347-56-6
MF:C5H12O2
MW:104.147582054138
CID:1417283
PubChem ID:11094555
Update Time:2025-04-20
1,2-Butanediol, 3-methyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Butanediol, 3-methyl-, (2S)-
- 1,2-Butanediol, 3-methyl-, (S)-
- (s)-3-methylbutane-1,2-diol
- 24347-56-6
- 3-Methyl-1,2-butanediol, (+)-
- UNII-ZP64AX90LZ
- (2S)-3-Methyl-1,2-butanediol
- SCHEMBL283630
- Q27295833
- 3-Methyl-1,2-butanediol, (2S)-
- ZP64AX90LZ
- 3-Methylbutane-1,2-diol, (2S)-
- 1,2-Butanediol, 3-methyl-, (S)-(+)-
- HJJZIMFAIMUSBW-RXMQYKEDSA-N
-
- Inchi： 1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3/t5-/m1/s1
- InChI Key： HJJZIMFAIMUSBW-RXMQYKEDSA-N
- SMILES： O[C@H](CO)C(C)C
Computed Properties
- Exact Mass: 104.08376
- 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: 43.3
- 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: 0.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Butanediol, 3-methyl-, (2S)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
24347-56-6 (1,2-Butanediol, 3-methyl-, (2S)-) Related Products
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