Home Carbonyls 4-(Methoxycarbonyl)-2-nitrobenzoic acid

4-(Methoxycarbonyl)-2-nitrobenzoic acid

CAS No.:
55737-66-1
Catalog Number:
AG003HS4
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$163
- +
25g
95%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG003HS4
Chemical Name:
4-(Methoxycarbonyl)-2-nitrobenzoic acid
CAS Number:
55737-66-1
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD06203344
IUPAC Name:
4-methoxycarbonyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)5-2-3-6(8(11)12)7(4-5)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
VULISSQANNKDCH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[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:
1  
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties