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27973-36-0 molecular structure
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ethyl 2-[(9Z)-9H-fluoren-9-ylidene]acetate

ChemBase ID: 295530
Molecular Formular: C17H14O2
Molecular Mass: 250.29186
Monoisotopic Mass: 250.09937969
SMILES and InChIs

SMILES:
O=C(OCC)/C=C/1\c2ccccc2c2c1cccc2
Canonical SMILES:
CCOC(=O)/C=C/1\c2ccccc2c2c1cccc2
InChI:
InChI=1S/C17H14O2/c1-2-19-17(18)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,2H2,1H3
InChIKey:
SCHVJDVNASXDFU-UHFFFAOYSA-N

Cite this record

CBID:295530 http://www.chembase.cn/molecule-295530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-[(9Z)-9H-fluoren-9-ylidene]acetate
IUPAC Traditional name
ethyl 2-[(9Z)-fluoren-9-ylidene]acetate
Synonyms
Ethyl 9-fluorenylideneacetate
Dibenzofulvene-1-carboxylic acid ethyl ester
9-Fluorenylideneacetic acid ethyl ester
9-亚芴基乙酸乙酯
CAS Number
27973-36-0
MDL Number
MFCD00798562
PubChem SID
180681061
PubChem CID
282552

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
A19062 external link Add to cart Please log in.
Data Source Data ID
PubChem 282552 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9792998  LogD (pH = 7.4) 3.9792998 
Log P 3.9792998  Molar Refractivity 85.2085 cm3
Polarizability 30.418072 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
75-77°C expand Show data source
TSCA Listed
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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