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89667-59-4 | 6-Heptenoic acid, 7-(1-naphthalenyl)-7-(3-pyridinyl)-
CAS No: 89667-59-4 Catalog No: AG0043T8 MDL No:
Product Description
Catalog Number:
AG0043T8
Chemical Name:
6-Heptenoic acid, 7-(1-naphthalenyl)-7-(3-pyridinyl)-
CAS Number:
89667-59-4
Molecular Formula:
C22H21NO2
Molecular Weight:
331.4076
IUPAC Name:
7-naphthalen-1-yl-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C22H21NO2/c24-22(25)14-3-1-2-11-20(18-10-7-15-23-16-18)21-13-6-9-17-8-4-5-12-19(17)21/h4-13,15-16H,1-3,14H2,(H,24,25)
InChI Key:
ZGASGOVOVSAMRD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC=C(c1cccc2c1cccc2)c1cccnc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.415g/mol
Monoisotopic Mass:
331.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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