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1261953-83-6 | 3-Pyridinecarboxylic acid, 2-amino-5-(4-formylphenyl)-
CAS No: 1261953-83-6 Catalog No: AG000S8T MDL No:MFCD18316852
Product Description
Catalog Number:
AG000S8T
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-5-(4-formylphenyl)-
CAS Number:
1261953-83-6
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD18316852
IUPAC Name:
2-amino-5-(4-formylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H10N2O3/c14-12-11(13(17)18)5-10(6-15-12)9-3-1-8(7-16)2-4-9/h1-7H,(H2,14,15)(H,17,18)
InChI Key:
SIKDKDMFLKXFLD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cnc(c(c1)C(=O)O)N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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