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50596-42-4 | 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CAS No: 50596-42-4 Catalog No: AG019LOO MDL No:MFCD08444786
Product Description
Catalog Number:
AG019LOO
Chemical Name:
3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
50596-42-4
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
MDL Number:
MFCD08444786
IUPAC Name:
3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H13NO3/c17-15(18)9-6-12-4-7-14(8-5-12)19-11-13-3-1-2-10-16-13/h1-10H,11H2,(H,17,18)
InChI Key:
AHAHELOFMADCAW-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)OCc1ccccn1
Properties
Complexity:
309
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:
2.3
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