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89667-51-6 | 6-Heptenoic acid, 7-(4-methoxyphenyl)-7-(3-pyridinyl)-, (Z)-
CAS No: 89667-51-6 Catalog No: AG0043TB MDL No:
Product Description
Catalog Number:
AG0043TB
Chemical Name:
6-Heptenoic acid, 7-(4-methoxyphenyl)-7-(3-pyridinyl)-, (Z)-
CAS Number:
89667-51-6
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
7-(4-methoxyphenyl)-7-pyridin-3-ylhept-6-enoic acid
InChI:
InChI=1S/C19H21NO3/c1-23-17-11-9-15(10-12-17)18(16-6-5-13-20-14-16)7-3-2-4-8-19(21)22/h5-7,9-14H,2-4,8H2,1H3,(H,21,22)
InChI Key:
CPYDZWBORROESU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C(=C/CCCCC(=O)O)/c1cccnc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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