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88412-09-3 | 3-Cyclohexene-1-carboxylic acid, 6-methyl-, 1-methylpropyl ester
CAS No: 88412-09-3 Catalog No: AG004HZJ MDL No:
Product Description
Catalog Number:
AG004HZJ
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-methyl-, 1-methylpropyl ester
CAS Number:
88412-09-3
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
butan-2-yl 6-methylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C12H20O2/c1-4-10(3)14-12(13)11-8-6-5-7-9(11)2/h5-6,9-11H,4,7-8H2,1-3H3
InChI Key:
AJKDXAOKNSFWAA-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C1CC=CCC1C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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