Home Other Building Blocks 2-Nitro-isophthalic acid monomethyl ester

2-Nitro-isophthalic acid monomethyl ester

CAS No.:
861593-27-3
Catalog Number:
AG003HSQ
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$350
- +
10g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003HSQ
Chemical Name:
2-Nitro-isophthalic acid monomethyl ester
CAS Number:
861593-27-3
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD08690069
IUPAC Name:
3-methoxycarbonyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)6-4-2-3-5(8(11)12)7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
NUULGBPUCNUUQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(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  
Properties