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1258608-59-1 | Benzoic acid, 3-(4-amino-3-pyridinyl)-, methyl ester
CAS No: 1258608-59-1 Catalog No: AG000OU2 MDL No:
Product Description
Catalog Number:
AG000OU2
Chemical Name:
Benzoic acid, 3-(4-amino-3-pyridinyl)-, methyl ester
CAS Number:
1258608-59-1
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
methyl 3-(4-aminopyridin-3-yl)benzoate
InChI:
InChI=1S/C13H12N2O2/c1-17-13(16)10-4-2-3-9(7-10)11-8-15-6-5-12(11)14/h2-8H,1H3,(H2,14,15)
InChI Key:
VXFRLCKLOVCKIJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cnccc1N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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