Benzoic acid, 4-(6-amino-3-pyridinyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(6-amino-3-pyridinyl)-, methyl ester
CAS Number: 222986-49-4
Product Number: AG00BIB9(AGN-PC-03TOM3)
Synonyms:
MDL No:
Molecular Formula: C13H12N2O2
Molecular Weight: 228.2466

Identification/Properties


Computed Properties
Molecular Weight:
228.251g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
228.09g/mol
Monoisotopic Mass:
228.09g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
262
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback