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116216-63-8 | Cyclopentanecarboxylic acid, 1-methyl-4-(1-methylethenyl)-2-oxo-
CAS No: 116216-63-8 Catalog No: AG000BYT MDL No:
Product Description
Catalog Number:
AG000BYT
Chemical Name:
Cyclopentanecarboxylic acid, 1-methyl-4-(1-methylethenyl)-2-oxo-
CAS Number:
116216-63-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
1-methyl-2-oxo-4-prop-1-en-2-ylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-6(2)7-4-8(11)10(3,5-7)9(12)13/h7H,1,4-5H2,2-3H3,(H,12,13)
InChI Key:
GHAGFRUPYGHPDB-UHFFFAOYSA-N
SMILES:
CC(=C)C1CC(=O)C(C1)(C)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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