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Home > Nitro Compounds > 88716-76-1
88716-76-1 | Propanedioic acid, [[(3-nitro-2-pyridinyl)thio]methylene]-, dimethyl ester
CAS No: 88716-76-1 Catalog No: AG0046YV MDL No:
Product Description
Catalog Number:
AG0046YV
Chemical Name:
Propanedioic acid, [[(3-nitro-2-pyridinyl)thio]methylene]-, dimethyl ester
CAS Number:
88716-76-1
Molecular Formula:
C11H10N2O6S
Molecular Weight:
298.2719
IUPAC Name:
dimethyl 2-[(3-nitropyridin-2-yl)sulfanylmethylidene]propanedioate
InChI:
InChI=1S/C11H10N2O6S/c1-18-10(14)7(11(15)19-2)6-20-9-8(13(16)17)4-3-5-12-9/h3-6H,1-2H3
InChI Key:
QRIUIELQORCCTL-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CSc1ncccc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.269g/mol
Monoisotopic Mass:
298.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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