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123282-78-0 | 2-Propenoic acid, 3-[4-(octyloxy)phenyl]-, 4-chlorophenyl ester, (E)- (9CI)
CAS No: 123282-78-0 Catalog No: AG000K9A MDL No:
Product Description
Catalog Number:
AG000K9A
Chemical Name:
2-Propenoic acid, 3-[4-(octyloxy)phenyl]-, 4-chlorophenyl ester, (E)- (9CI)
CAS Number:
123282-78-0
Molecular Formula:
C23H27ClO3
Molecular Weight:
386.9117
IUPAC Name:
(4-chlorophenyl) 3-(4-octoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C23H27ClO3/c1-2-3-4-5-6-7-18-26-21-13-8-19(9-14-21)10-17-23(25)27-22-15-11-20(24)12-16-22/h8-17H,2-7,18H2,1H3
InChI Key:
KSSCBZBWIJWLOK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)Cl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.165g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.916g/mol
Monoisotopic Mass:
386.165g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
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