Home Carboxys Methyl 4-methyl-5-nitropyridine-2-carboxylate

Methyl 4-methyl-5-nitropyridine-2-carboxylate

CAS No.:
868551-30-8
Catalog Number:
AG00IE8F
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG00IE8F
Chemical Name:
Methyl 4-methyl-5-nitropyridine-2-carboxylate
CAS Number:
868551-30-8
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD22421724
IUPAC Name:
methyl 4-methyl-5-nitropyridine-2-carboxylate
InChI:
InChI=1S/C8H8N2O4/c1-5-3-6(8(11)14-2)9-4-7(5)10(12)13/h3-4H,1-2H3
InChI Key:
JOCVMGPJNBRFGT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties