8'-Methoxy-3-methyl-6'-nitrospiro[1,3-benzoxazole-2,2'-chromene]

HCID 340372

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Basic information

CAS: 82860-94-4
Standard SMILES: COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)Oc2ccccc2N1C
InChIKey: UIMUWQDVRLHOEW-UHFFFAOYSA-N
Molecular formula: C17H14N2O5
Average molar mass: 326.3 g/mol
Monoisotopic mass: 326.09027155

Names & identifiers

Preferred name: 8'-Methoxy-3-methyl-6'-nitrospiro[1,3-benzoxazole-2,2'-chromene]
IUPAC: 8'-methoxy-3-methyl-6'-nitrospiro[1,3-benzoxazole-2,2'-chromene]

Names & synonyms

82860-94-4NSC3708858'-methoxy-3-methyl-6'-nitrospiro[1,3-benzoxazole-2,2'-chromene]DTXSID90321150NSC-3708858-Methoxy-3'-methyl-6-nitro-3'H-spiro[[1]benzopyran-2,2'-[1,3]benzoxazole]

Database identifiers

CAS: 82860-94-4
PubChem CID: 340372
DTXSID: DTXSID90321150

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 76.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 24
Formal charge: 0
Complexity: 536

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