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88956-32-5 | 2-Propenoic acid, 3-[4-(heptyloxy)phenyl]-, 4-methoxyphenyl ester, (E)-
CAS No: 88956-32-5 Catalog No: AG0046SU MDL No:
Product Description
Catalog Number:
AG0046SU
Chemical Name:
2-Propenoic acid, 3-[4-(heptyloxy)phenyl]-, 4-methoxyphenyl ester, (E)-
CAS Number:
88956-32-5
Molecular Formula:
C23H28O4
Molecular Weight:
368.4660
IUPAC Name:
(4-methoxyphenyl) 3-(4-heptoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C23H28O4/c1-3-4-5-6-7-18-26-21-11-8-19(9-12-21)10-17-23(24)27-22-15-13-20(25-2)14-16-22/h8-17H,3-7,18H2,1-2H3
InChI Key:
CXFARHBECUBYNB-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)OC
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.473g/mol
Monoisotopic Mass:
368.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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