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20292-15-3 | 3-Cyclohexene-1-carboxylic acid, 4-methyl-, ethyl ester
CAS No: 20292-15-3 Catalog No: AG0028K0 MDL No:
Product Description
Catalog Number:
AG0028K0
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-methyl-, ethyl ester
CAS Number:
20292-15-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
ethyl 4-methylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4,9H,3,5-7H2,1-2H3
InChI Key:
PZTAKMRNULTLOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=CC1)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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