2-(4H-benzo[d][1,3]dioxin-6-yl)acetonitrile

HCID 59166221
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Basic information

Standard SMILES
N#CCc1ccc2c(c1)COCO2
InChIKey
SZXZUMROSTWBOG-UHFFFAOYSA-N
Molecular formula
C10H9NO2
Average molar mass
175.18 g/mol

Names & identifiers

Preferred name
2-(4H-benzo[d][1,3]dioxin-6-yl)acetonitrile
IUPAC
2-(4H-1,3-benzodioxin-6-yl)acetonitrile

Names & synonyms

SCHEMBL1721517SZXZUMROSTWBOG-UHFFFAOYSA-N2-(4H-benzo[d][1,3]dioxin-6-yl)acetonitrile

Database identifiers

PubChem CID
59166221

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Related reactions

10 records
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Compound notes

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