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Home > Nitro Compounds > 5437-38-7
5437-38-7 | 3-Methyl-2-nitrobenzoic acid
CAS No: 5437-38-7 Catalog No: AG003JP9 MDL No:MFCD00007180
Product Description
Catalog Number:
AG003JP9
Chemical Name:
3-Methyl-2-nitrobenzoic acid
CAS Number:
5437-38-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007180
IUPAC Name:
3-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
DGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cccc1C(=O)O
EC Number:
226-610-9
UNII:
61WOP984AB
NSC Number:
16048
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:
1.6
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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