Basic information
- CAS
7234-04-0- Standard SMILES
OC1C=Cc2ccccc2C1O- InChIKey
QPUHWUSUBHNZCG-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Overview
1,2-dihydronaphthalene-1,2-diol is a member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively. It has a role as a mouse metabolite and a bacterial xenobiotic metabolite. It is a member of naphthalenediols and a member of dihydronaphthalenes. It is functionally related to a naphthalene-1,2-diol. It derives from a hydride of a 1,2-dihydronaphthalene.
Names & identifiers
- Preferred name
- 1,2-Dihydro-1,2-dihydroxynaphthalene
- IUPAC
- 1,2-dihydronaphthalene-1,2-diol
- English name
- 1,2-dihydroxy-1,2-dihydronaphthalene
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
1,2-Dihydroxy-1,2-dihydronaphthalene7234-04-0Naphthalene-1,2-dihydrodiol1,2-dihydro-1,2-dihydroxynaphthaleneDTXSID201291284RefChem:906717DTXCID601445336(+/-)-trans-1,2-Dihydroxy-1,2-dihydronaphthalene(+)-CIS-1(R),2(S)-1,2-DIHYDROXY-1,2-DIHYDRONAPHTHALENEsyn-1,2-Dihydro-1,2-naphthalenediol31966-70-81,2-Naphthalenediol, 1,2-dihydro-
Show more names
1,2-Dihydronaphthalene-1,2-diol
SCHEMBL381084SCHEMBL2499836SCHEMBL30138865AKOS006228682PD036527DB-071326C06205Q27103750
Database identifiers
- CAS
7234-04-0- PubChem CID
- 362
- DTXSID
DTXSID201291284- ChEBI
CHEBI:28516- Nikkaji
- J81.355I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 331.4 · 331.4±42.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 13.58 · 13.58±0.40(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
上海甄准生物科技有限公司15800340161 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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