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1156981-53-1 | [(2-Cyano-benzyl)-methyl-amino]-acetic acid
CAS No: 1156981-53-1 Catalog No: AG01FATX MDL No:
Product Description
Catalog Number:
AG01FATX
Chemical Name:
[(2-Cyano-benzyl)-methyl-amino]-acetic acid
CAS Number:
1156981-53-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
2-[(2-cyanophenyl)methyl-methylamino]acetic acid
InChI:
InChI=1S/C11H12N2O2/c1-13(8-11(14)15)7-10-5-3-2-4-9(10)6-12/h2-5H,7-8H2,1H3,(H,14,15)
InChI Key:
GVKQKJAOJLTJSK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN(CC(=O)O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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