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1011479-08-5 | Benzoic acid, 4-(5-amino-3-pyridinyl)-, methyl ester
CAS No: 1011479-08-5 Catalog No: AG0003U3 MDL No:
Product Description
Catalog Number:
AG0003U3
Chemical Name:
Benzoic acid, 4-(5-amino-3-pyridinyl)-, methyl ester
CAS Number:
1011479-08-5
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
methyl 4-(5-aminopyridin-3-yl)benzoate
InChI:
InChI=1S/C13H12N2O2/c1-17-13(16)10-4-2-9(3-5-10)11-6-12(14)8-15-7-11/h2-8H,14H2,1H3
InChI Key:
VGTDNLDVSCKPTD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cncc(c1)N
Properties
Complexity:
262
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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