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Home > Pyridines > 924857-45-4
924857-45-4 | 3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 924857-45-4 Catalog No: AG01A7JN MDL No:MFCD08444824
Product Description
Catalog Number:
AG01A7JN
Chemical Name:
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
924857-45-4
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
MDL Number:
MFCD08444824
IUPAC Name:
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H13NO3/c17-15(18)6-5-13-3-1-2-4-14(13)19-11-12-7-9-16-10-8-12/h1-10H,11H2,(H,17,18)
InChI Key:
RRNOZLJRYMIPIS-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccccc1OCc1ccncc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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