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116289-14-6 | Cyclohexanecarboxylic acid, 4-(2-oxoethylidene)-, methyl ester
CAS No: 116289-14-6 Catalog No: AG000C4Z MDL No:
Product Description
Catalog Number:
AG000C4Z
Chemical Name:
Cyclohexanecarboxylic acid, 4-(2-oxoethylidene)-, methyl ester
CAS Number:
116289-14-6
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
methyl 4-(2-oxoethylidene)cyclohexane-1-carboxylate
InChI:
InChI=1S/C10H14O3/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h6-7,9H,2-5H2,1H3
InChI Key:
ACQIWILGWWZQMH-UHFFFAOYSA-N
SMILES:
O=CC=C1CCC(CC1)C(=O)OC
Properties
Complexity:
220
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:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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