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Home > Pyridines > 865350-38-5
865350-38-5 | 4-methoxy-3-(pyridin-2-yl)benzoic acid
CAS No: 865350-38-5 Catalog No: AG01A2LC MDL No:MFCD11932631
Product Description
Catalog Number:
AG01A2LC
Chemical Name:
4-methoxy-3-(pyridin-2-yl)benzoic acid
CAS Number:
865350-38-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD11932631
IUPAC Name:
4-methoxy-3-pyridin-2-ylbenzoic acid
InChI:
InChI=1S/C13H11NO3/c1-17-12-6-5-9(13(15)16)8-10(12)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
InChI Key:
FWJIAMUVXKCWND-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1ccccn1)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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