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89814-39-1 | Benzoic acid, 2-methoxy-5-[(3-pyridinylamino)methyl]-, methyl ester
CAS No: 89814-39-1 Catalog No: AG003Z7B MDL No:
Product Description
Catalog Number:
AG003Z7B
Chemical Name:
Benzoic acid, 2-methoxy-5-[(3-pyridinylamino)methyl]-, methyl ester
CAS Number:
89814-39-1
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
methyl 2-methoxy-5-[(pyridin-3-ylamino)methyl]benzoate
InChI:
InChI=1S/C15H16N2O3/c1-19-14-6-5-11(8-13(14)15(18)20-2)9-17-12-4-3-7-16-10-12/h3-8,10,17H,9H2,1-2H3
InChI Key:
CFKOHYOMQQLISP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CNc2cccnc2)ccc1OC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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