Crotonic acid, 3-methyl-, ester with 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one, (-)-, mixed with N-vinylpyrrolidone (14:86)

HCID 41371

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Basic information

CAS: 55247-73-9
Standard SMILES: C=CN1CCCC1=O.CC(C)=CC(=O)OCC(C)C1Cc2cc3ccc(=O)oc3cc2O1
InChIKey: FYGLTXDKUMDSCU-UHFFFAOYSA-N
Molecular formula: C25H29NO6
Average molar mass: 439.5 g/mol
Monoisotopic mass: 439.19948764

Names & identifiers

Preferred name: Crotonic acid, 3-methyl-, ester with 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one, (-)-, mixed with N-vinylpyrrolidone (14:86)
IUPAC: 1-ethenylpyrrolidin-2-one;2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate

Names & synonyms

55247-73-9RefChem:334504C6H9NO.C19H20O5DTXSID609705782-(7-Oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-2-yl)propyl 3-methylbut-2-enoate--1-ethenylpyrrolidin-2-one (1/1)

Database identifiers

CAS: 55247-73-9
PubChem CID: 41371
DTXSID: DTXSID60970578

Properties

Computed structural properties

Topological polar surface area: 82.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 680

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