1,4-Naphthalenedione, 5-methyl-

HCID 12280997

Notes Reactions

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Basic information

CAS: 571-63-1
Standard SMILES: Cc1cccc2c1C(=O)C=CC2=O
InChIKey: HVEQLLXOVCUBPR-UHFFFAOYSA-N
Molecular formula: C11H8O2
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.05242949

Names & identifiers

Preferred name: 1,4-Naphthalenedione, 5-methyl-
IUPAC: 5-methylnaphthalene-1,4-dione

Names & synonyms

1,4-Naphthalenedione, 5-methyl-571-63-1DTXSID70484010RefChem:220981DTXCID404348205-Methyl-1,4-naphthoquinone5-methylnaphthalene-1,4-dioneSCHEMBL7811584SCHEMBL30003333HVEQLLXOVCUBPR-UHFFFAOYSA-NAKOS006290964Phytomenadione/Vitamin K1 Impurity 122

Database identifiers

CAS: 571-63-1
PubChem CID: 12280997
DTXSID: DTXSID70484010
Nikkaji: J672.361F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 278

Related reactions

1 records

New reaction record

HRID 486812As reactantuspto-grants-1994_03

Compound notes

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