Home Carboxys Methyl 3-methyl-4-nitroisoxazole-5-carboxylate

Methyl 3-methyl-4-nitroisoxazole-5-carboxylate

CAS No.:
344303-87-3
Catalog Number:
AG00I6SY
Molecular Formula:
C6H6N2O5
Molecular Weight:
186.1222
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$330
- +
1g
95%
1 week
United States
$767
- +
Product Description
Catalog Number:
AG00I6SY
Chemical Name:
Methyl 3-methyl-4-nitroisoxazole-5-carboxylate
CAS Number:
344303-87-3
Molecular Formula:
C6H6N2O5
Molecular Weight:
186.1222
MDL Number:
MFCD27924189
IUPAC Name:
methyl 3-methyl-4-nitro-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C6H6N2O5/c1-3-4(8(10)11)5(13-7-3)6(9)12-2/h1-2H3
InChI Key:
JTEPMQCAQKJDCF-UHFFFAOYSA-N
SMILES:
COC(=O)c1onc(c1[N+](=O)[O-])C
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.123g/mol
Monoisotopic Mass:
186.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties