Home Nitros 3-Methyl-2-nitrobenzoic acid

3-Methyl-2-nitrobenzoic acid

CAS No.:
5437-38-7
Catalog Number:
AG003JP9
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$9
- +
25g
95%
In Stock USA
United States
$13
- +
100g
95%
In Stock USA
United States
$25
- +
500g
95%
In Stock USA
United States
$75
- +
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
Properties