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874-66-8 molecular structure
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(2E)-3-(furan-2-yl)-2-methylprop-2-enal

ChemBase ID: 295148
Molecular Formular: C8H8O2
Molecular Mass: 136.14792
Monoisotopic Mass: 136.0524295
SMILES and InChIs

SMILES:
C/C(=C\c1ccco1)/C=O
Canonical SMILES:
O=C/C(=C/c1ccco1)/C
InChI:
InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+
InChIKey:
ZNBXZUKDRRRQJK-FNORWQNLSA-N

Cite this record

CBID:295148 http://www.chembase.cn/molecule-295148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-3-(furan-2-yl)-2-methylprop-2-enal
IUPAC Traditional name
(2E)-3-(furan-2-yl)-2-methylprop-2-enal
Synonyms
2-Methyl-3-(2-furyl)acrolein
2-Methyl-3-(2-furyl)propenal
2-甲基-3-(2-呋喃基)丙烯醛
CAS Number
874-66-8
EC Number
212-866-9
MDL Number
MFCD00063240
Beilstein Number
2438
PubChem SID
180680679
PubChem CID
6210220

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
A10125 external link Add to cart Please log in.
Data Source Data ID
PubChem 6210220 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4332671  LogD (pH = 7.4) 1.4332671 
Log P 1.4332671  Molar Refractivity 38.8825 cm3
Polarizability 14.464549 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
280-281°C expand Show data source
Flash Point
>100°C(212°F) expand Show data source
Density
1.097 expand Show data source
Refractive Index
1.6140 expand Show data source
RTECS
LT8530600 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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