Cas no 426226-20-2 (methyl 2-((1S,4R)-4-hydroxycyclopent-2-enyl)acetate)
426226-20-2 structure
Product Name:methyl 2-((1S,4R)-4-hydroxycyclopent-2-enyl)acetate
CAS No:426226-20-2
MF:C8H12O3
MW:156.179082870483
CID:928321
PubChem ID:55278961
Update Time:2025-04-19
methyl 2-((1S,4R)-4-hydroxycyclopent-2-enyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-((1S,4R)-4-hydroxycyclopent-2-enyl)acetate
- METHYL (1S,4R)-4-(HYDROXYMETHYL)CYCLOPENT-2-ENE-1-CARBOXYLATE
- (1R,3S)-1-hydroxy-3-(methyl-carboxymethyl)-4-cyclopentene
- AG-F-51557
- CTK4I6481
- DTXSID00717287
- 426226-20-2
- Methyl(1S,4R)-4-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
- AKOS006332476
- Methyl (1S,4R)-4-(hydroxy-methyl)cyclopent-2-ene-1-carboxylate
- MFCD09038003
-
- Inchi： 1S/C8H12O3/c1-11-8(10)7-3-2-6(4-7)5-9/h2-3,6-7,9H,4-5H2,1H3/t6-,7+/m0/s1
- InChI Key： VBQMHKQWJRMQIP-NKWVEPMBSA-N
- SMILES： OC[C@H]1C=C[C@@H](C(=O)OC)C1
Computed Properties
- Exact Mass: 156.07900
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 174
- 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: 0.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 0.34400
methyl 2-((1S,4R)-4-hydroxycyclopent-2-enyl)acetate Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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