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88466-46-0 | Butanoic acid, 4-cyclohexylidene-3-oxo-, methyl ester
CAS No: 88466-46-0 Catalog No: AG004CL7 MDL No:
Product Description
Catalog Number:
AG004CL7
Chemical Name:
Butanoic acid, 4-cyclohexylidene-3-oxo-, methyl ester
CAS Number:
88466-46-0
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
methyl 4-cyclohexylidene-3-oxobutanoate
InChI:
InChI=1S/C11H16O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h7H,2-6,8H2,1H3
InChI Key:
WRMKLFKZPUSCQG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C=C1CCCCC1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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