Pulverochromenol

HCID 441982

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Basic information

CAS: 85394-12-3
Standard SMILES: CC(C)=CCc1c2c(cc3c(=O)cc(CO)oc13)C=CC(C)(C)O2
InChIKey: GTKAFJOQXBXVJD-UHFFFAOYSA-N
Molecular formula: C20H22O4
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.15180918

Overview

Pulverochromenol is a member of chromenes.

Names & identifiers

Preferred name: Pulverochromenol
IUPAC: 8-(hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one

Names & synonyms

Pulverochromenol85394-12-3C09031AC1L9C1QCHEBI:8637SCHEMBL31237374DTXSID00331700Q271081218-(Hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

Database identifiers

CAS: 85394-12-3
PubChem CID: 441982
DTXSID: DTXSID00331700
ChEBI: CHEBI:8637
Nikkaji: J2.767.831I

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 595

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