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113541-80-3 | Cyclohexanecarboxylic acid, 2-oxo-1-(2-propen-1-yl)-, methyl ester
CAS No: 113541-80-3 Catalog No: AG0008XP MDL No:
Product Description
Catalog Number:
AG0008XP
Chemical Name:
Cyclohexanecarboxylic acid, 2-oxo-1-(2-propen-1-yl)-, methyl ester
CAS Number:
113541-80-3
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
methyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
InChI:
InChI=1S/C11H16O3/c1-3-7-11(10(13)14-2)8-5-4-6-9(11)12/h3H,1,4-8H2,2H3
InChI Key:
OURWLCPHOKLVAJ-UHFFFAOYSA-N
SMILES:
C=CCC1(CCCCC1=O)C(=O)OC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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