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89667-48-1 | 6-Heptenoic acid, 7-(4-methylphenyl)-7-(3-pyridinyl)-, (E)-
CAS No: 89667-48-1 Catalog No: AG0044KR MDL No:
Product Description
Catalog Number:
AG0044KR
Chemical Name:
6-Heptenoic acid, 7-(4-methylphenyl)-7-(3-pyridinyl)-, (E)-
CAS Number:
89667-48-1
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
7-(4-methylphenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C19H21NO2/c1-15-9-11-16(12-10-15)18(17-6-5-13-20-14-17)7-3-2-4-8-19(21)22/h5-7,9-14H,2-4,8H2,1H3,(H,21,22)
InChI Key:
DDOUKHFCBYTKMW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC/C=C(\c1ccc(cc1)C)/c1cccnc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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