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189949-63-1 | Benzoic acid, 4-(2-propen-1-yl)-, 4-heptylphenyl ester
CAS No: 189949-63-1 Catalog No: AG002E6S MDL No:
Product Description
Catalog Number:
AG002E6S
Chemical Name:
Benzoic acid, 4-(2-propen-1-yl)-, 4-heptylphenyl ester
CAS Number:
189949-63-1
Molecular Formula:
C23H28O2
Molecular Weight:
336.4672
IUPAC Name:
(4-heptylphenyl) 4-prop-2-enylbenzoate
InChI:
InChI=1S/C23H28O2/c1-3-5-6-7-8-10-20-13-17-22(18-14-20)25-23(24)21-15-11-19(9-4-2)12-16-21/h4,11-18H,2-3,5-10H2,1H3
InChI Key:
MLIJVPDGFIZAFI-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)CC=C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.475g/mol
Monoisotopic Mass:
336.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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