Cas no 102305-65-7 (2-Propenoic acid,3-[(4R,5S)-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-, (2E)-rel-(+)-)
![2-Propenoic acid,3-[(4R,5S)-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-, (2E)-rel-(+)- structure](https://ossimg.kuujia.com/scimg/102500/102305-65-7x500.png)
102305-65-7 structure
Product Name:2-Propenoic acid,3-[(4R,5S)-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-, (2E)-rel-(+)-
CAS No:102305-65-7
MF:C8H8O5
MW:184.146122932434
CID:181905
Update Time:2025-04-19
2-Propenoic acid,3-[(4R,5S)-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-, (2E)-rel-(+)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-[(4R,5S)-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-, (2E)-rel-(+)-
- Pevalic acid
- 2-Propenoicacid, 3-(4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl)-, [1(E),4a,5b]-(+)-
-
- Inchi： 1S/C8H8O5/c9-5-3-4(1-2-6(10)11)7(12)8(5)13/h1-3,7-8,12-13H,(H,10,11)
- InChI Key： RKNWFOYVGFNOMG-UHFFFAOYSA-N
- SMILES： OC1C(=O)C=C(C=CC(=O)O)C1O
Computed Properties
- Exact Mass: 184.037173g/mol
- Monoisotopic Mass: 184.037173g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 302
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 184.15g/mol
- XLogP3: -1.6
- Topological Polar Surface Area: 94.8?2
2-Propenoic acid,3-[(4R,5S)-4,5-dihydroxy-3-oxo-1-cyclopenten-1-yl]-, (2E)-rel-(+)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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