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80162-85-2 | Benzoic acid, 2-(acetylamino)-5-amino-, methyl ester
CAS No: 80162-85-2 Catalog No: AG0054M8 MDL No:
Product Description
Catalog Number:
AG0054M8
Chemical Name:
Benzoic acid, 2-(acetylamino)-5-amino-, methyl ester
CAS Number:
80162-85-2
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
methyl 2-acetamido-5-aminobenzoate
InChI:
InChI=1S/C10H12N2O3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,11H2,1-2H3,(H,12,13)
InChI Key:
YVZTZUUOYMPKLA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)ccc1NC(=O)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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