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125453-16-9 | 2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid
CAS No: 125453-16-9 Catalog No: AG01F879 MDL No:MFCD00961510
Product Description
Catalog Number:
AG01F879
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-yl)-2-acetamidoacetic acid
CAS Number:
125453-16-9
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
MDL Number:
MFCD00961510
IUPAC Name:
2-acetamido-2-(benzotriazol-1-yl)acetic acid
InChI:
InChI=1S/C10H10N4O3/c1-6(15)11-9(10(16)17)14-8-5-3-2-4-7(8)12-13-14/h2-5,9H,1H3,(H,11,15)(H,16,17)
InChI Key:
YFWNURHVQXDFPM-UHFFFAOYSA-N
SMILES:
CC(=O)NC(n1nnc2c1cccc2)C(=O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.215g/mol
Monoisotopic Mass:
234.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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