Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
69513-13-9- Standard SMILES
CCOC(=O)C(=Cc1ccc([N+](=O)[O-])o1)C(=O)OCC- InChIKey
HZCMOCLXXIOKRG-UHFFFAOYSA-N- Molecular formula
- C12H13NO7
- Average molar mass
- 283.23 g/mol
- Monoisotopic mass
- 283.06920175
Names & identifiers
- Preferred name
- Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
- IUPAC
- diethyl 2-[(5-nitrofuran-2-yl)methylidene]propanedioate
- English name
- Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
- Molecular weight
- 0
Names & synonyms
69513-13-9DTXSID40219750Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl esterDiethyl ((5-nitro-2-furanyl)methylene)propanedioate1,1-Bis(ethoxycarbonyl)-2-(5-nitro-2-furyl)ethylenePropanedioic acid, [(5-nitro-2-furanyl)methylene]-, diethyl esterRefChem:374420DTXCID90142241Propanedioic acid,2-[(5-nitro-2-furanyl)methylene]-, 1,3-diethyl esterdiethyl 2-({5-nitro-2-furyl}methylene)malonateDiethyl 2-[(5-nitro-2-furyl)methylene]malonateSCHEMBL11222628
Show more names
HZCMOCLXXIOKRG-UHFFFAOYSA-NAKOS024405313AE-641/00418053Diethyl 2-[(5-nitro-2-furyl)methylene]malonate #Diethyl [(5-nitrofuran-2-yl)methylidene]propanedioateMalonic acid, (5-nitrofurfurylidene)-, diethyl ester2-(5-Nitrofuran-2-ylmethylene)malonic acid, diethyl ester
Database identifiers
- CAS
69513-13-9- PubChem CID
- 93399
- DTXSID
DTXSID40219750- Nikkaji
- J1.036.471J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
LogP2.5
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Related reactions
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Compound notes
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