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Home > Nitro Compounds > 69513-13-9
69513-13-9 | Propanedioic acid,2-[(5-nitro-2-furanyl)methylene]-, 1,3-diethyl ester
CAS No: 69513-13-9 Catalog No: AG005L05 MDL No:
Product Description
Catalog Number:
AG005L05
Chemical Name:
Propanedioic acid,2-[(5-nitro-2-furanyl)methylene]-, 1,3-diethyl ester
CAS Number:
69513-13-9
Molecular Formula:
C12H13NO7
Molecular Weight:
283.2341
IUPAC Name:
diethyl 2-[(5-nitrofuran-2-yl)methylidene]propanedioate
InChI:
InChI=1S/C12H13NO7/c1-3-18-11(14)9(12(15)19-4-2)7-8-5-6-10(20-8)13(16)17/h5-7H,3-4H2,1-2H3
InChI Key:
HZCMOCLXXIOKRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(o1)[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.236g/mol
Monoisotopic Mass:
283.069g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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