Cas no 181378-55-2 (Oxiranecarboxylic acid,3-butyl-, trans- (9CI))
181378-55-2 structure
Product Name:Oxiranecarboxylic acid,3-butyl-, trans- (9CI)
CAS No:181378-55-2
MF:C7H12O3
MW:144.168382644653
CID:113655
PubChem ID:10844504
Update Time:2025-04-18
Oxiranecarboxylic acid,3-butyl-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Oxiranecarboxylic acid,3-butyl-, trans- (9CI)
- (2R,3S)-3-butyloxirane-2-carboxylic acid
- AKOS006377935
- Oxiranecarboxylic acid, 3-butyl-, trans- (9CI)
- 181378-55-2
-
- Inchi： 1S/C7H12O3/c1-2-3-4-5-6(10-5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
- InChI Key： HOZQSRMTDXZVPJ-NTSWFWBYSA-N
- SMILES： O1[C@@H](C(=O)O)[C@@H]1CCCC
Computed Properties
- Exact Mass: 144.07866
- Monoisotopic Mass: 144.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.83
Oxiranecarboxylic acid,3-butyl-, trans- (9CI) Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
181378-55-2 (Oxiranecarboxylic acid,3-butyl-, trans- (9CI)) Related Products
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