Cas no 25362-67-8 (Cyclopentaneaceticacid, 2-carboxy-3-methyl- (8CI,9CI))
25362-67-8 structure
Product Name:Cyclopentaneaceticacid, 2-carboxy-3-methyl- (8CI,9CI)
CAS No:25362-67-8
MF:C9H14O4
MW:186.205063343048
CID:269251
PubChem ID:12301971
Update Time:2025-04-19
Cyclopentaneaceticacid, 2-carboxy-3-methyl- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentaneaceticacid, 2-carboxy-3-methyl- (8CI,9CI)
- Boschnialinicacid
- 2-(carboxymethyl)-5-methylcyclopentane-1-carboxylic acid
- DTXSID20486625
- 25362-67-8
-
- Inchi： 1S/C9H14O4/c1-5-2-3-6(4-7(10)11)8(5)9(12)13/h5-6,8H,2-4H2,1H3,(H,10,11)(H,12,13)
- InChI Key： CSBVBDDIVGIGMF-UHFFFAOYSA-N
- SMILES： OC(C1C(C)CCC1CC(=O)O)=O
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Cyclopentaneaceticacid, 2-carboxy-3-methyl- (8CI,9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
25362-67-8 (Cyclopentaneaceticacid, 2-carboxy-3-methyl- (8CI,9CI)) Related Products
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