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3271-80-5 molecular structure
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2-phenylphenyl acetate

ChemBase ID: 54965
Molecular Formular: C14H12O2
Molecular Mass: 212.24388
Monoisotopic Mass: 212.08372962
SMILES and InChIs

SMILES:
c1cccc(c1)c1c(cccc1)OC(=O)C
Canonical SMILES:
CC(=O)Oc1ccccc1c1ccccc1
InChI:
InChI=1S/C14H12O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey:
UZUGIHHGLRFGMJ-UHFFFAOYSA-N

Cite this record

CBID:54965 http://www.chembase.cn/molecule-54965.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylphenyl acetate
IUPAC Traditional name
2-phenylphenyl acetate
Synonyms
[1,1'-Biphenyl]-2-yl acetate
CAS Number
3271-80-5
MDL Number
MFCD00447698
PubChem SID
162059728
PubChem CID
232755

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
060037 external link Add to cart Please log in.
Data Source Data ID
PubChem 232755 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2277322  LogD (pH = 7.4) 3.2277322 
Log P 3.2277322  Molar Refractivity 62.3266 cm3
Polarizability 25.767689 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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