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87995-07-1 | 3-Cyclohexene-1-carboxylic acid, 5-oxo-1-(2-propenyl)-, methyl ester
CAS No: 87995-07-1 Catalog No: AG004H9F MDL No:
Product Description
Catalog Number:
AG004H9F
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 5-oxo-1-(2-propenyl)-, methyl ester
CAS Number:
87995-07-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
methyl 5-oxo-1-prop-2-enylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C11H14O3/c1-3-6-11(10(13)14-2)7-4-5-9(12)8-11/h3-5H,1,6-8H2,2H3
InChI Key:
LCOSNZBLQCQUOQ-UHFFFAOYSA-N
SMILES:
C=CCC1(CC=CC(=O)C1)C(=O)OC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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