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113825-40-4 | 1-Cyclohexene-1-carboxylic acid, 4-(4-methoxyphenyl)-, ethyl ester
CAS No: 113825-40-4 Catalog No: AG0009TQ MDL No:
Product Description
Catalog Number:
AG0009TQ
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 4-(4-methoxyphenyl)-, ethyl ester
CAS Number:
113825-40-4
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
ethyl 4-(4-methoxyphenyl)cyclohexene-1-carboxylate
InChI:
InChI=1S/C16H20O3/c1-3-19-16(17)14-6-4-12(5-7-14)13-8-10-15(18-2)11-9-13/h6,8-12H,3-5,7H2,1-2H3
InChI Key:
WQDUDFIWPRYPLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCC(CC1)c1ccc(cc1)OC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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