Home Nitros 3,4,5-Trimethoxy-2-nitrobenzoic acid

3,4,5-Trimethoxy-2-nitrobenzoic acid

CAS No.:
66907-52-6
Catalog Number:
AG00FAPK
Molecular Formula:
C10H11NO7
Molecular Weight:
257.1968
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00FAPK
Chemical Name:
3,4,5-Trimethoxy-2-nitrobenzoic acid
CAS Number:
66907-52-6
Molecular Formula:
C10H11NO7
Molecular Weight:
257.1968
MDL Number:
MFCD00017005
IUPAC Name:
3,4,5-trimethoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)
InChI Key:
VPVAFLFJAAPHKI-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1OC)OC)[N+](=O)[O-]
EC Number:
266-518-6
NSC Number:
100936
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.054g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.198g/mol
Monoisotopic Mass:
257.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
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