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2211-27-0 molecular structure
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4-hydroxy-2-methylnaphthalen-1-yl acetate

ChemBase ID: 312102
Molecular Formular: C13H12O3
Molecular Mass: 216.23258
Monoisotopic Mass: 216.07864424
SMILES and InChIs

SMILES:
c1(c2c(c(cc1C)O)cccc2)OC(=O)C
Canonical SMILES:
CC(=O)Oc1c(C)cc(c2c1cccc2)O
InChI:
InChI=1S/C13H12O3/c1-8-7-12(15)10-5-3-4-6-11(10)13(8)16-9(2)14/h3-7,15H,1-2H3
InChIKey:
JPUZRBGFEWQQEW-UHFFFAOYSA-N

Cite this record

CBID:312102 http://www.chembase.cn/molecule-312102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-2-methylnaphthalen-1-yl acetate
IUPAC Traditional name
4-hydroxy-2-methylnaphthalen-1-yl acetate
Synonyms
4-hydroxy-2-methyl-1-naphthyl acetate
CAS Number
2211-27-0
MDL Number
MFCD02667139

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7797618  LogD (pH = 7.4) 2.7737062 
Log P 2.7798395  Molar Refractivity 60.6627 cm3
Polarizability 24.638147 Å3 Polar Surface Area 46.53 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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