3-Isocyanatochromone

HCID 12464504
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Basic information

Standard SMILES
O=C=Nc1coc2ccccc2c1=O
InChIKey
ICKGPKDHDLUSPQ-UHFFFAOYSA-N
Molecular formula
C10H5NO3
Average molar mass
187.15 g/mol
Monoisotopic mass
187.02694302

Names & identifiers

Preferred name
3-Isocyanatochromone
IUPAC
3-isocyanatochromen-4-one

Names & synonyms

3-isocyanatochromoneSCHEMBL10493117ICKGPKDHDLUSPQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
12464504

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
55.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

4 records
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Compound notes

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