6-Nitro-4-chromanone Oxime

HCID 85969958
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C(=NO)CCO2
InChIKey
XQLQPWHFSVXJFA-UHFFFAOYSA-N
Molecular formula
C9H8N2O4
Average molar mass
208.17 g/mol
Monoisotopic mass
208.04840674

Names & identifiers

Preferred name
6-Nitro-4-chromanone Oxime
IUPAC
N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine

Names & synonyms

6-Nitro-4-chromanone OximeSCHEMBL11542125XQLQPWHFSVXJFA-UHFFFAOYSA-N

Database identifiers

PubChem CID
85969958

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
87.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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