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86138-40-1 | 2-Propenoic acid, 3-[4-(nonyloxy)phenyl]-, 6-cyano-2-naphthalenyl ester
CAS No: 86138-40-1 Catalog No: AG004TKA MDL No:
Product Description
Catalog Number:
AG004TKA
Chemical Name:
2-Propenoic acid, 3-[4-(nonyloxy)phenyl]-, 6-cyano-2-naphthalenyl ester
CAS Number:
86138-40-1
Molecular Formula:
C29H31NO3
Molecular Weight:
441.5613
IUPAC Name:
(6-cyanonaphthalen-2-yl) 3-(4-nonoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C29H31NO3/c1-2-3-4-5-6-7-8-19-32-27-15-10-23(11-16-27)12-18-29(31)33-28-17-14-25-20-24(22-30)9-13-26(25)21-28/h9-18,20-21H,2-8,19H2,1H3
InChI Key:
IOEIPTAAWGUWOM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(cc1)C=CC(=O)Oc1ccc2c(c1)ccc(c2)C#N
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.23g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.571g/mol
Monoisotopic Mass:
441.23g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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