2-[(4,6,7-Trimethoxy-2,3-dihydro-1-benzofuran-5-yl)methylidene]hydrazine-1-carboximidic acid

HCID 243772

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Basic information

CAS: 6960-60-7
Standard SMILES: COc1c(C=NNC(N)=O)c(OC)c(OC)c2c1CCO2
InChIKey: WKWJJRZYLHOQJI-UHFFFAOYSA-N
Molecular formula: C13H17N3O5
Average molar mass: 295.29 g/mol
Monoisotopic mass: 295.11682065

Names & identifiers

Preferred name: 2-[(4,6,7-Trimethoxy-2,3-dihydro-1-benzofuran-5-yl)methylidene]hydrazine-1-carboximidic acid
IUPAC: [(4,6,7-trimethoxy-2,3-dihydro-1-benzofuran-5-yl)methylideneamino]urea

Names & synonyms

MLS002667635CHEMBL2143640DTXSID70989691HMS3080M14SMR0015573952-[(4,6,7-Trimethoxy-2,3-dihydro-1-benzofuran-5-yl)methylidene]hydrazine-1-carboximidic acid

Database identifiers

CAS: 6960-60-7
PubChem CID: 243772
DTXSID: DTXSID70989691
ChEMBL: CHEMBL2143640

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 392

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