Cas no 37172-52-4 ((1R,2S)-2-hexyl-3-oxocyclopentanecarboxylic acid)
37172-52-4 structure
Product Name:(1R,2S)-2-hexyl-3-oxocyclopentanecarboxylic acid
CAS No:37172-52-4
MF:C12H20O3
MW:212.285404205322
CID:1481643
PubChem ID:3084653
Update Time:2025-04-21
(1R,2S)-2-hexyl-3-oxocyclopentanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (1R,2S)-2-hexyl-3-oxocyclopentanecarboxylic acid
- (1R,2S)-2-hexyl-3-oxocyclopentane-1-carboxylic acid
- Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-
- 37172-52-4
-
- Inchi： 1S/C12H20O3/c1-2-3-4-5-6-9-10(12(14)15)7-8-11(9)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m0/s1
- InChI Key： DJAOIPLLYKPHJI-VHSXEESVSA-N
- SMILES： O=C1CC[C@@H](C(=O)O)[C@@H]1CCCCCC
Computed Properties
- Exact Mass: 212.1413
- Monoisotopic Mass: 212.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 235
- 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: 2.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
(1R,2S)-2-hexyl-3-oxocyclopentanecarboxylic acid 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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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
37172-52-4 ((1R,2S)-2-hexyl-3-oxocyclopentanecarboxylic acid) Related Products
- 98-78-2(3-oxocyclopentane-1-carboxylic acid)
- 1461-97-8(trans-1,2-Cyclopentanedicarboxylic Acid)
- 23761-23-1(3-oxocyclobutane-1-carboxylic acid)
- 6628-79-1(β-Methyllevulinic Acid)
- 3400-45-1(Cyclopentanecarboxylic acid)
- 1460-38-4(2-(2-Oxocyclopentyl)acetic acid)
- 874-61-3(4-oxocyclohexane-1-carboxylic acid)
- 27975-19-5(Isosteviol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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