Dihydroxymaleic anhydride bis(hydrocinnamate)

HCID 22097

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Basic information

CAS: 5837-67-2
Standard SMILES: O=C(CCc1ccccc1)OC1=C(OC(=O)CCc2ccccc2)C(=O)OC1=O
InChIKey: CIMLPWNHKBNSGM-UHFFFAOYSA-N
Molecular formula: C22H18O7
Average molar mass: 394.4 g/mol
Monoisotopic mass: 394.10525291

Names & identifiers

Preferred name: Dihydroxymaleic anhydride bis(hydrocinnamate)
IUPAC: [2,5-dioxo-4-(3-phenylpropanoyloxy)furan-3-yl] 3-phenylpropanoate
English name: [2,5-dioxo-4-(3-phenylpropanoyloxy)-3-furyl] 3-phenylpropanoate
Molecular formula: C22H18O7
Molecular weight: 394.37

Names & synonyms

5837-67-2MALEIC ANHYDRIDE, DIHYDROXY-, BIS(HYDROCINNAMATE)Dihydroxymaleic anhydride bis(hydrocinnamate)BRN 1271865DTXSID80207090DB-3106852,5-Dioxo-2,5-dihydrofuran-3,4-diyl bis(3-phenylpropanoate)[2,5-Dioxo-4-(3-phenylpropanoyloxy)-3-furyl ] 3-phenylpropanoate[2,5-dioxo-4-(3-phenylpropanoyloxy)-3-furyl] 3-phenylpropanoateMaleic anhydride, dihydroxy-, bis(hydrocinnamate) (7CI,8CI)

Database identifiers

CAS: 5837-67-2
PubChem CID: 22097
DTXSID: DTXSID80207090
Nikkaji: J85.354B

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 96 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 29
Formal charge: 0
Complexity: 611

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