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1592-12-7 molecular structure
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(4-ethenylphenyl)methyl acetate

ChemBase ID: 286810
Molecular Formular: C11H12O2
Molecular Mass: 176.21178
Monoisotopic Mass: 176.08372962
SMILES and InChIs

SMILES:
CC(=O)OCc1ccc(C=C)cc1
Canonical SMILES:
C=Cc1ccc(cc1)COC(=O)C
InChI:
InChI=1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3
InChIKey:
LEIKPUSDAWATBV-UHFFFAOYSA-N

Cite this record

CBID:286810 http://www.chembase.cn/molecule-286810.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-ethenylphenyl)methyl acetate
IUPAC Traditional name
(4-ethenylphenyl)methyl acetate
Synonyms
4-Vinylbenzyl acetate
CAS Number
1592-12-7
MDL Number
MFCD00078265
PubChem SID
180672341
PubChem CID
2735161

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD100528 Please log in.
Data Source Data ID
PubChem 2735161 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3837235  LogD (pH = 7.4) 2.3837235 
Log P 2.3837235  Molar Refractivity 51.7117 cm3
Polarizability 20.129522 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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