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100004-95-3 | 4-Pyridinecarboxylic acid, 2-(3-methoxyphenyl)-
CAS No: 100004-95-3 Catalog No: AG0000A0 MDL No:MFCD14666479
Product Description
Catalog Number:
AG0000A0
Chemical Name:
4-Pyridinecarboxylic acid, 2-(3-methoxyphenyl)-
CAS Number:
100004-95-3
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD14666479
IUPAC Name:
2-(3-methoxyphenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c1-17-11-4-2-3-9(7-11)12-8-10(13(15)16)5-6-14-12/h2-8H,1H3,(H,15,16)
InChI Key:
CVHWXPCBLBMQDT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nccc(c1)C(=O)O
Properties
Complexity:
269
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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