Home Nitros 4-(Carboxymethyl)-3-nitrobenzoic acid

4-(Carboxymethyl)-3-nitrobenzoic acid

CAS No.:
444667-11-2
Catalog Number:
AG0071RG
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$144
- +
5g
96%
In Stock USA
United States
$288
- +
Product Description
Catalog Number:
AG0071RG
Chemical Name:
4-(Carboxymethyl)-3-nitrobenzoic acid
CAS Number:
444667-11-2
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD07783888
IUPAC Name:
4-(carboxymethyl)-3-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c11-8(12)4-5-1-2-6(9(13)14)3-7(5)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key:
IKQGHWIOQHURNN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1[N+](=O)[O-])C(=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