Cas no 133071-13-3 (2-Cyclopentene-1-carboxamide,1,4-dihydroxy-,(1S,4R)-(9CI))
133071-13-3 structure
Product Name:2-Cyclopentene-1-carboxamide,1,4-dihydroxy-,(1S,4R)-(9CI)
CAS No:133071-13-3
MF:C6H9NO3
MW:143.140561819077
CID:1018800
PubChem ID:14806438
Update Time:2025-04-20
2-Cyclopentene-1-carboxamide,1,4-dihydroxy-,(1S,4R)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Cyclopentene-1-carboxamide,1,4-dihydroxy-,(1S,4R)-(9CI)
- 133071-13-3
- (1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide
- AKOS006363097
-
- Inchi： 1S/C6H9NO3/c7-5(9)6(10)2-1-4(8)3-6/h1-2,4,8,10H,3H2,(H2,7,9)/t4-,6+/m0/s1
- InChI Key： OTFXVMDBYXRDHC-UJURSFKZSA-N
- SMILES： O[C@]1(C(N)=O)C=C[C@@H](C1)O
Computed Properties
- Exact Mass: 143.05827
- Monoisotopic Mass: 143.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 189
- 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: -1.6
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55
2-Cyclopentene-1-carboxamide,1,4-dihydroxy-,(1S,4R)-(9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Tertiary alcohols
- Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Tertiary alcohols
- Natural Products and Extracts Plant Extracts Plant based Lindackeria dentata
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