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75265-70-2 | Cyclohexanecarboxylic acid, 2-oxo-, 1-methyl-2-propenyl ester
CAS No: 75265-70-2 Catalog No: AG005CLU MDL No:
Product Description
Catalog Number:
AG005CLU
Chemical Name:
Cyclohexanecarboxylic acid, 2-oxo-, 1-methyl-2-propenyl ester
CAS Number:
75265-70-2
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
but-3-en-2-yl 2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C11H16O3/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h3,8-9H,1,4-7H2,2H3
InChI Key:
JPQNDJXDUJQGEV-UHFFFAOYSA-N
SMILES:
C=CC(OC(=O)C1CCCCC1=O)C
Properties
Complexity:
245
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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