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Home > Pyridines > 924857-54-5
924857-54-5 | 3-[3,5-dimethoxy-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924857-54-5 Catalog No: AG019Q1G MDL No:MFCD08444990
Product Description
Catalog Number:
AG019Q1G
Chemical Name:
3-[3,5-dimethoxy-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924857-54-5
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
MDL Number:
MFCD08444990
IUPAC Name:
3-[3,5-dimethoxy-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C17H17NO5/c1-21-14-9-12(6-7-16(19)20)10-15(22-2)17(14)23-11-13-5-3-4-8-18-13/h3-10H,11H2,1-2H3,(H,19,20)
InChI Key:
IBPAPNBYVFEQHK-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)O)cc(c1OCc1ccccn1)OC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.325g/mol
Monoisotopic Mass:
315.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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