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1460-38-4 | Cyclopentaneacetic acid, 2-oxo-
CAS No: 1460-38-4 Catalog No: AG001DLR MDL No:MFCD02093672
Product Description
Catalog Number:
AG001DLR
Chemical Name:
Cyclopentaneacetic acid, 2-oxo-
CAS Number:
1460-38-4
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD02093672
IUPAC Name:
2-(2-oxocyclopentyl)acetic acid
InChI:
InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)
InChI Key:
OLLLIBGOZUPLOK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCC1=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| (±)-2-Oxocyclo-penta-neacetic acid: catemeric hydrogen bonding in a γ-keto acid. | Acta crystallographica. Section E, Structure reports online 20090401 |
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