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1,4-Naphthoquinone

CAT: 0572-TRC-N368488-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N368488-1GSize:1 g
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CAS Number
130-15-4
Synonyms
1,4-Naphthalenedione; 1,4-Naphthoquinone (8CI); 1,4-Dihydro-1,4-diketonaphthalene; 1,4-Naphthylquinone; NSC 113960; NSC 9583; Quino Power NQ; Quino Power NQI; p-Naphthoquinone; α-Naphthoquinone
Hazard Statement
No Data Available
Smiles
O=C1C=CC(=O)c2ccccc12
Molecular Formula
C10 H6 O2
Molecular Weight
158.15
InChI
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
Additionnal Information
IUPAC name: naphthalene-1,4-dione
Shipping Conditions
Room Temperature

Chemical Information

1,4-Naphthoquinone

1,4-naphthoquinone is the parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. It derives from a hydride of a naphthalene.

CAS Number130-15-4
PubChem CID8530
IUPAC Namenaphthalene-1,4-dione
Molecular FormulaC10H6O2
Molecular Weight158.15
XLogP1.7
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity227
SMILES
C1=CC=C2C(=O)C=CC(=O)C2=C1
InChI
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
FRASJONUBLZVQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Naphthoquinone
CAS: 130-15-4
CID: 8530
Formula: C10H6O2
MW: 158.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.15
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass158.036779430
Monoisotopic Mass158.036779430
Topological Polar Surface Area34.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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