Home Nitros 2-(Carboxymethyl)-4-nitrobenzoic acid

2-(Carboxymethyl)-4-nitrobenzoic acid

CAS No.:
39585-32-5
Catalog Number:
AG003F06
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%(HPLC)
In Stock USA
United States
$186
- +
5g
97%(HPLC)
In Stock USA
United States
$686
- +
Product Description
Catalog Number:
AG003F06
Chemical Name:
2-(Carboxymethyl)-4-nitrobenzoic acid
CAS Number:
39585-32-5
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD07782180
IUPAC Name:
2-(carboxymethyl)-4-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c11-8(12)4-5-3-6(10(15)16)1-2-7(5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key:
CKXXWBQEZGLFMV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(ccc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties