Home Nitros 2,5-Dimethyl-3-nitrobenzoic acid

2,5-Dimethyl-3-nitrobenzoic acid

CAS No.:
27022-97-5
Catalog Number:
AG007M5F
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$203
- +
1g
95%
1 week
United States
$330
- +
5g
95%
1 week
United States
$1135
- +
Product Description
Catalog Number:
AG007M5F
Chemical Name:
2,5-Dimethyl-3-nitrobenzoic acid
CAS Number:
27022-97-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD02258778
IUPAC Name:
2,5-dimethyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)6(2)8(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI Key:
CXGZFDGAQVAGHA-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(c(c1)C(=O)O)C
NSC Number:
85207
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties