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Home > Nitro Compounds > 89247-04-1
89247-04-1 | Methyl 4,6-dihydroxy-5-nitronicotinate
CAS No: 89247-04-1 Catalog No: AG00H21P MDL No:MFCD12922702
Product Description
Catalog Number:
AG00H21P
Chemical Name:
Methyl 4,6-dihydroxy-5-nitronicotinate
CAS Number:
89247-04-1
Molecular Formula:
C7H6N2O6
Molecular Weight:
214.1323
MDL Number:
MFCD12922702
IUPAC Name:
methyl 4-hydroxy-5-nitro-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H6N2O6/c1-15-7(12)3-2-8-6(11)4(5(3)10)9(13)14/h2H,1H3,(H2,8,10,11)
InChI Key:
XFKYOFYOTZRQAW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.133g/mol
Monoisotopic Mass:
214.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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