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Home > Nitro Compounds > 115213-46-2
115213-46-2 | Propanedioic acid, 2-[1-(2-furanyl)-2-nitroethyl]-, 1,3-dimethyl ester
CAS No: 115213-46-2 Catalog No: AG000GGG MDL No:
Product Description
Catalog Number:
AG000GGG
Chemical Name:
Propanedioic acid, 2-[1-(2-furanyl)-2-nitroethyl]-, 1,3-dimethyl ester
CAS Number:
115213-46-2
Molecular Formula:
C11H13NO7
Molecular Weight:
271.2234
IUPAC Name:
dimethyl 2-[1-(furan-2-yl)-2-nitroethyl]propanedioate
InChI:
InChI=1S/C11H13NO7/c1-17-10(13)9(11(14)18-2)7(6-12(15)16)8-4-3-5-19-8/h3-5,7,9H,6H2,1-2H3
InChI Key:
PZQQTBCYVZWRML-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(c1ccco1)C[N+](=O)[O-])C(=O)OC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.225g/mol
Monoisotopic Mass:
271.069g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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