1-Hydroxy-3-methylnaphthalene-2-carbonitrile

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Basic information

CAS: 5333-06-2
Standard SMILES: Cc1cc2ccccc2c(O)c1C#N
InChIKey: MNBIYILUYGJHFP-UHFFFAOYSA-N
Molecular formula: C12H9NO
Average molar mass: 183.21 g/mol
Monoisotopic mass: 183.06841391

Names & identifiers

Preferred name: 1-Hydroxy-3-methylnaphthalene-2-carbonitrile
IUPAC: 1-hydroxy-3-methylnaphthalene-2-carbonitrile

Names & synonyms

5333-06-21-hydroxy-3-methylnaphthalene-2-carbonitrileDTXSID60277059RefChem:230866DTXCID702282191-HYDROXY-3-METHYL-2-NAPHTHONITRILENSC592SCHEMBL1699621NSC-592MNBIYILUYGJHFP-UHFFFAOYSA-NDB-291431

Database identifiers

CAS: 5333-06-2
PubChem CID: 219375
DTXSID: DTXSID60277059

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 44 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 254

Related reactions

3 records

New reaction record

HRID 514138As productuspto-grants-2015_08

HRID 514139As reactantuspto-grants-2015_08

HRID 2393186As reactantuspto-grants-1998_09

Compound notes

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