3-Acetamido-6-nitrochromen-2-one

HCID 734892

Notes Reactions

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Basic information

CAS: 787-63-3
Standard SMILES: CC(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIKey: XFJUNGZIABENHT-UHFFFAOYSA-N
Molecular formula: C11H8N2O5
Average molar mass: 248.19 g/mol
Monoisotopic mass: 248.04332136

Names & identifiers

Preferred name: 3-Acetamido-6-nitrochromen-2-one
IUPAC: N-(6-nitro-2-oxochromen-3-yl)acetamide

Names & synonyms

787-63-33-Acetamido-6-nitrochromen-2-oneDTXSID10352724RefChem:276141DTXCID40303789N-(6-Nitro-2-oxo-2H-chromen-3-yl)acetamideN-(6-nitro-2-oxochromen-3-yl)acetamideMaybridge1_0009293-acetamido-6-nitrocoumarinOprea1_279321Oprea1_792519SCHEMBL3278394

Show more names

HMS544C05XFJUNGZIABENHT-UHFFFAOYSA-NAKOS000639132CCG-234626ST50731583N-(6-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide

Database identifiers

CAS: 787-63-3
PubChem CID: 734892
DTXSID: DTXSID10352724
Nikkaji: J2.476.701I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 426

Related reactions

3 records

New reaction record

HRID 643222As productuspto-grants-2010_04

HRID 643223As reactantuspto-grants-2010_04

HRID 948040As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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