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22009-38-7 molecular structure
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7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one

ChemBase ID: 797801
Molecular Formular: C10H10O2
Molecular Mass: 162.1852
Monoisotopic Mass: 162.06807956
SMILES and InChIs

SMILES:
c1(cc2c(cc1)CCCC2=O)O
Canonical SMILES:
Oc1ccc2c(c1)C(=O)CCC2
InChI:
InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
InChIKey:
LGFSAJZSDNYVCW-UHFFFAOYSA-N

Cite this record

CBID:797801 http://www.chembase.cn/molecule-797801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC Traditional name
7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
Synonyms
7-Hydroxy-3,4-dihydro-2H-naphthalen-1-one
CAS Number
22009-38-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9795 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9795 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.88635  H Acceptors
H Donor LogD (pH = 5.5) 1.9773821 
LogD (pH = 7.4) 1.9637043  Log P 1.9775593 
Molar Refractivity 46.3076 cm3 Polarizability 17.616182 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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