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115498-52-7 | 3-Cyclohexene-1-carboxylic acid, 4-propyl-, 4-butoxyphenyl ester
CAS No: 115498-52-7 Catalog No: AG000G2D MDL No:
Product Description
Catalog Number:
AG000G2D
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-propyl-, 4-butoxyphenyl ester
CAS Number:
115498-52-7
Molecular Formula:
C20H28O3
Molecular Weight:
316.4345
IUPAC Name:
(4-butoxyphenyl) 4-propylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C20H28O3/c1-3-5-15-22-18-11-13-19(14-12-18)23-20(21)17-9-7-16(6-4-2)8-10-17/h7,11-14,17H,3-6,8-10,15H2,1-2H3
InChI Key:
ZZCOJVBFHMUNDZ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)OC(=O)C1CCC(=CC1)CCC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.204g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.441g/mol
Monoisotopic Mass:
316.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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