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Home > Pyridines > 1160994-84-2
1160994-84-2 | 4-(3-Formyl-pyridin-2-yl)benzoic acid
CAS No: 1160994-84-2 Catalog No: AG01FCWE MDL No:
Product Description
Catalog Number:
AG01FCWE
Chemical Name:
4-(3-Formyl-pyridin-2-yl)benzoic acid
CAS Number:
1160994-84-2
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
4-(3-formylpyridin-2-yl)benzoic acid
InChI:
InChI=1S/C13H9NO3/c15-8-11-2-1-7-14-12(11)9-3-5-10(6-4-9)13(16)17/h1-8H,(H,16,17)
InChI Key:
PWIVVTTZPDIRFU-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1c1ccc(cc1)C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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