Cas no 152518-85-9 (Cyclopentanecarboxylicacid, 3-methyl-, (1S-cis)- (9CI))
152518-85-9 structure
Product Name:Cyclopentanecarboxylicacid, 3-methyl-, (1S-cis)- (9CI)
CAS No:152518-85-9
MF:C7H12O2
MW:128.168982505798
CID:99212
PubChem ID:13239207
Update Time:2025-04-18
Cyclopentanecarboxylicacid, 3-methyl-, (1S-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- (1S,3R)-3-methylcyclopentane-1-carboxylic acid
- Cyclopentanecarboxylic acid, 3-methyl-, (1S-cis)- (9CI)
- 152518-85-9
- AKOS006375952
- SCHEMBL12423754
- Cyclopentanecarboxylicacid, 3-methyl-, (1S-cis)- (9CI)
-
- Inchi： 1S/C7H12O2/c1-5-2-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m1/s1
- InChI Key： LHJUMZACQNBHRC-RITPCOANSA-N
- SMILES： OC([C@H]1CC[C@@H](C)C1)=O
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 120
- 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: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclopentanecarboxylicacid, 3-methyl-, (1S-cis)- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
152518-85-9 (Cyclopentanecarboxylicacid, 3-methyl-, (1S-cis)- (9CI)) Related Products
- 98-78-2(3-oxocyclopentane-1-carboxylic acid)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 498-21-5(Methylsuccinic acid)
- 124-83-4((1R,3S)-Camphoric Acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 99-66-1(Valproic acid)
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