3-(7,8-Dimethoxy-2H-1-benzopyran-5-yl)-2-methoxymethylpropenenitrile

HCID 54373447
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Basic information

Standard SMILES
COCC(C#N)=Cc1cc(OC)c(OC)c2c1C=CCO2
InChIKey
UUVGOTJBHRZFFI-UHFFFAOYSA-N
Molecular formula
C16H17NO4
Average molar mass
287.31 g/mol

Names & identifiers

Preferred name
3-(7,8-Dimethoxy-2H-1-benzopyran-5-yl)-2-methoxymethylpropenenitrile
IUPAC
3-(7,8-dimethoxy-2H-chromen-5-yl)-2-(methoxymethyl)prop-2-enenitrile

Names & synonyms

SCHEMBL10614571UUVGOTJBHRZFFI-UHFFFAOYSA-N3-(7,8-Dimethoxy-2H-1-benzopyran-5-yl)-2-methoxymethylpropenenitrile

Database identifiers

PubChem CID
54373447

Properties

Computed structural properties

XLogP
2
Topological polar surface area
60.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

6 records
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Compound notes

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