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87328-17-4 molecular structure
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ethyl 1-phenylcyclopropane-1-carboxylate

ChemBase ID: 90585
Molecular Formular: C12H14O2
Molecular Mass: 190.23836
Monoisotopic Mass: 190.09937969
SMILES and InChIs

SMILES:
O=C(C1(c2ccccc2)CC1)OCC
Canonical SMILES:
CCOC(=O)C1(CC1)c1ccccc1
InChI:
InChI=1S/C12H14O2/c1-2-14-11(13)12(8-9-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey:
QYTKZIORFMEULA-UHFFFAOYSA-N

Cite this record

CBID:90585 http://www.chembase.cn/molecule-90585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-phenylcyclopropane-1-carboxylate
IUPAC Traditional name
ethyl 1-phenylcyclopropane-1-carboxylate
Synonyms
1-(Ethoxycarbonyl)-1-phenylcyclopropane
Ethyl 1-phenylcyclopropane-1-carboxylate
CAS Number
87328-17-4
PubChem SID
162077380
PubChem CID
13119529

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 13119529 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7489707  LogD (pH = 7.4) 2.7489707 
Log P 2.7489707  Molar Refractivity 54.1566 cm3
Polarizability 21.409077 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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