Cas no 15235-82-2 (Cyclopentanecarboxylic acid, 2,3,5-trimethyl-4-oxo-)
15235-82-2 structure
Product Name:Cyclopentanecarboxylic acid, 2,3,5-trimethyl-4-oxo-
CAS No:15235-82-2
MF:C9H14O3
MW:170.205663204193
CID:234447
PubChem ID:310855
Update Time:2025-04-19
Cyclopentanecarboxylic acid, 2,3,5-trimethyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic acid, 2,3,5-trimethyl-4-oxo-
- 2,3,5-trimethyl-4-oxocyclopentane-1-carboxylic acid
- 2,4,5-Trimethyl-cyclopentanon-(3)-carbonsaeure-(1)
- AC1L7I35
- CTK0I3643
- NSC215984
- 15235-82-2
- NSC-215984
- DTXSID40309786
-
- Inchi： 1S/C9H14O3/c1-4-5(2)8(10)6(3)7(4)9(11)12/h4-7H,1-3H3,(H,11,12)
- InChI Key： AZNKKGKPXLDLBE-UHFFFAOYSA-N
- SMILES： O=C1C(C)C(C(=O)O)C(C)C1C
Computed Properties
- Exact Mass: 170.09432
- Monoisotopic Mass: 170.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 1.17820
Cyclopentanecarboxylic acid, 2,3,5-trimethyl-4-oxo- Related Literature
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
15235-82-2 (Cyclopentanecarboxylic acid, 2,3,5-trimethyl-4-oxo-) 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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