Home Nitros Methyl 5-methyl-2-nitrobenzoate

Methyl 5-methyl-2-nitrobenzoate

CAS No.:
20587-30-8
Catalog Number:
AG002AEC
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG002AEC
Chemical Name:
Methyl 5-methyl-2-nitrobenzoate
CAS Number:
20587-30-8
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00157275
IUPAC Name:
methyl 5-methyl-2-nitrobenzoate
InChI:
InChI=1S/C9H9NO4/c1-6-3-4-8(10(12)13)7(5-6)9(11)14-2/h3-5H,1-2H3
InChI Key:
KFOICDVZQKFCGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)ccc1[N+](=O)[O-]
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties