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76980-26-2 | N-(2-BENZYLOXYNICOTINOYL)GLYCINE
CAS No: 76980-26-2 Catalog No: AG0057A3 MDL No:
Product Description
Catalog Number:
AG0057A3
Chemical Name:
N-(2-BENZYLOXYNICOTINOYL)GLYCINE
CAS Number:
76980-26-2
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
2-[(2-phenylmethoxypyridine-3-carbonyl)amino]acetic acid
InChI:
InChI=1S/C15H14N2O4/c18-13(19)9-17-14(20)12-7-4-8-16-15(12)21-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChI Key:
MLECTERVGANSQP-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cccnc1OCc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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