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Home > Pyridines > 924876-53-9
924876-53-9 | 3-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924876-53-9 Catalog No: AG019PZK MDL No:MFCD08444888
Product Description
Catalog Number:
AG019PZK
Chemical Name:
3-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924876-53-9
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
MDL Number:
MFCD08444888
IUPAC Name:
3-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H15NO4/c1-20-14-6-4-12(5-7-16(18)19)9-15(14)21-11-13-3-2-8-17-10-13/h2-10H,11H2,1H3,(H,18,19)
InChI Key:
REGLSVUSLMXRLH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCc1cccnc1)C=CC(=O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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