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Home > Pyridines > 1373232-70-2
1373232-70-2 | Benzoic acid, 4-(5-methoxy-3-pyridinyl)-
CAS No: 1373232-70-2 Catalog No: AG00134H MDL No:MFCD22192488
Product Description
Catalog Number:
AG00134H
Chemical Name:
Benzoic acid, 4-(5-methoxy-3-pyridinyl)-
CAS Number:
1373232-70-2
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD22192488
IUPAC Name:
4-(5-methoxypyridin-3-yl)benzoic acid
InChI:
InChI=1S/C13H11NO3/c1-17-12-6-11(7-14-8-12)9-2-4-10(5-3-9)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
YFAPUFRJGDNTOE-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)c1ccc(cc1)C(=O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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