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Home > Nitro Compounds > 866144-42-5
866144-42-5 | 1,3-dimethyl 2-methyl-2-(5-nitropyridin-2-yl)propanedioate
CAS No: 866144-42-5 Catalog No: AG00IT1G MDL No:MFCD03617761
Product Description
Catalog Number:
AG00IT1G
Chemical Name:
1,3-dimethyl 2-methyl-2-(5-nitropyridin-2-yl)propanedioate
CAS Number:
866144-42-5
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
MDL Number:
MFCD03617761
IUPAC Name:
dimethyl 2-methyl-2-(5-nitropyridin-2-yl)propanedioate
InChI:
InChI=1S/C11H12N2O6/c1-11(9(14)18-2,10(15)19-3)8-5-4-7(6-12-8)13(16)17/h4-6H,1-3H3
InChI Key:
DRRSHNFSYZFAIT-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cn1)[N+](=O)[O-])(C(=O)OC)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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