3-Methoxy-4-nitrosophenol

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Basic information

CAS: 39501-58-1
Standard SMILES: COc1cc(O)ccc1N=O
InChIKey: QCEMLNAQECGBOQ-UHFFFAOYSA-N
Molecular formula: C7H7NO3
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.04259309

Names & identifiers

Preferred name: 3-Methoxy-4-nitrosophenol
IUPAC: 3-methoxy-4-nitrosophenol

Names & synonyms

3-methoxy-4-nitrosophenol39501-58-1DTXSID90435569RefChem:280414DTXCID40386395186194-64-92,5-Cyclohexadiene-1,4-dione,2-methoxy-,1-oxime,(E)-(9CI)SCHEMBL145388QCEMLNAQECGBOQ-UHFFFAOYSA-N3-methoxy-1,4-benzoquinone-4-oxime

Database identifiers

CAS: 39501-58-1
PubChem CID: 10103347
DTXSID: DTXSID90435569
Nikkaji: J659.676B、J731.332B

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Related reactions

1 records

New reaction record

HRID 1655668As productuspto-grants-1993_10

Compound notes

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