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Home > Nitro Compounds > 7356-52-7
7356-52-7 | 3-Acetamido-4-methyl-2-nitrobenzoic acid
CAS No: 7356-52-7 Catalog No: AG005COV MDL No:MFCD00755098
Product Description
Catalog Number:
AG005COV
Chemical Name:
3-Acetamido-4-methyl-2-nitrobenzoic acid
CAS Number:
7356-52-7
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
MDL Number:
MFCD00755098
IUPAC Name:
3-acetamido-4-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C10H10N2O5/c1-5-3-4-7(10(14)15)9(12(16)17)8(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)(H,14,15)
InChI Key:
TXVWKWQKCFPEDJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(C)ccc(c1[N+](=O)[O-])C(=O)O
NSC Number:
53197
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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