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114302-19-1 | 3-Cyclohexene-1-carboxylic acid, 2,4-dimethyl-, ethyl ester, cis- (9CI)
CAS No: 114302-19-1 Catalog No: AG000B1N MDL No:
Product Description
Catalog Number:
AG000B1N
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 2,4-dimethyl-, ethyl ester, cis- (9CI)
CAS Number:
114302-19-1
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
ethyl 2,4-dimethylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C11H18O2/c1-4-13-11(12)10-6-5-8(2)7-9(10)3/h7,9-10H,4-6H2,1-3H3
InChI Key:
LKIMEUAGFSZJQE-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CCC(=C[C@@H]1C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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