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10402-52-5 molecular structure
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2-phenylpropyl acetate

ChemBase ID: 109006
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
CC(COC(=O)C)c1ccccc1
Canonical SMILES:
CC(c1ccccc1)COC(=O)C
InChI:
InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey:
RVPTTWAAIKMYAH-UHFFFAOYSA-N

Cite this record

CBID:109006 http://www.chembase.cn/molecule-109006.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpropyl acetate
IUPAC Traditional name
2-phenylpropyl acetate
Synonyms
HYDRATROPIC ACETATE
CAS Number
10402-52-5
PubChem SID
162094504
PubChem CID
25239

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
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Data Source Data ID
PubChem 25239 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3006556  LogD (pH = 7.4) 2.3006556 
Log P 2.3006556  Molar Refractivity 51.252 cm3
Polarizability 20.299007 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05209509 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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