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Naphthalene-1,4-diol

CAT: 1731-AP KR 0639-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-AP KR 0639-01Size:1 mg
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CAS Number
571-60-8
MDL Number
MFCD00003977
Purity
0.95
Smiles
Oc1ccc (O) c2ccccc12
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

1,4-Naphthalenediol

Naphthalene-1,4-diol is a naphthalenediol and a naphthohydroquinone.

CAS Number571-60-8
PubChem CID11305
IUPAC Namenaphthalene-1,4-diol
Molecular FormulaC10H8O2
Molecular Weight160.17
XLogP1.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)O
InChI
InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
InChIKey
PCILLCXFKWDRMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Naphthalenediol
CAS: 571-60-8
CID: 11305
Formula: C10H8O2
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass160.052429494
Monoisotopic Mass160.052429494
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity140
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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Alternative Products

CatalogName
OR29317-01Naphthalene-1,4-diol
FN142880-01Naphthalene-1,8-diol
OR480646-01Naphthalene-2,6-diol
OR5393-01Naphthalene-1,4-dione
OR70051-011- (4-Bromophenyl) naphthalene
OR66681- (4-Aminophenoxy) naphthalene
sc-269944Naphthalene-1,4-dicarbonitrile
OR13083-01Naphthalene-1,4-dicarboxaldehyde
sc-3518821- (4-Bromophenyl) -naphthalene
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