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Home > Nitro Compounds > 13506-76-8
13506-76-8 | 2-Methyl-6-nitrobenzoic acid
CAS No: 13506-76-8 Catalog No: AG003HO2 MDL No:MFCD00007267
Product Description
Catalog Number:
AG003HO2
Chemical Name:
2-Methyl-6-nitrobenzoic acid
CAS Number:
13506-76-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007267
IUPAC Name:
2-methyl-6-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
CCXSGQZMYLXTOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(=O)O)C
EC Number:
236-833-3
UNII:
JM85Y56DX1
UN Number:
2811
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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