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131404-52-9 | Cyclopentanecarboxylic acid, 2,2-dimethyl-4-oxo-
CAS No: 131404-52-9 Catalog No: AG000W4A MDL No:
Product Description
Catalog Number:
AG000W4A
Chemical Name:
Cyclopentanecarboxylic acid, 2,2-dimethyl-4-oxo-
CAS Number:
131404-52-9
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
2,2-dimethyl-4-oxocyclopentane-1-carboxylic acid
InChI:
InChI=1S/C8H12O3/c1-8(2)4-5(9)3-6(8)7(10)11/h6H,3-4H2,1-2H3,(H,10,11)
InChI Key:
RWVQURMHDYCCRI-UHFFFAOYSA-N
SMILES:
O=C1CC(C(C1)(C)C)C(=O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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