3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile

HCID 736755
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Basic information

CAS
158386-97-1
Standard SMILES
Cc1occc1C(=O)CC#N
InChIKey
GHZZELMXQVEVPO-UHFFFAOYSA-N
Molecular formula
C8H7NO2
Average molar mass
149.15 g/mol
Monoisotopic mass
149.04767847

Names & identifiers

Preferred name
3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile
IUPAC
3-(2-methylfuran-3-yl)-3-oxopropanenitrile
English name
3-(2-METHYL-3-FURYL)-3-OXOPROPANENITRILE
Molecular formula
C8H7NO2
Molecular weight
149.15

Names & synonyms

158386-97-13-(2-Methyl-3-Furyl)-3-Oxopropanenitrile3-(2-methylfuran-3-yl)-3-oxopropanenitrile3-Furanpropanenitrile, 2-methyl-beta-oxo-MFCD000680453-(2-methyl(3-furyl))-3-oxopropanenitrileSCHEMBL924058DTXSID70353095GHZZELMXQVEVPO-UHFFFAOYSA-NHMS1766C03IGA38697SBB055773
Show more names
BUTTPARK 94\04-85(2-METHYLFUR-3-OYL)ACETONITRILE3-Furanpropanenitrile, 2-methyl-β-oxo-
2-(2-methyl-3-furanoyl)acetonitrileAKOS000206942TS-019533-(2-methyl-3-furyl)-3-oxo-propanenitrileCS-0224325ST50950019EN300-11891Z55928929

Database identifiers

CAS
158386-97-1
PubChem CID
736755
DTXSID
DTXSID70353095
EC Number
192-833-2

Properties

Computed structural properties

XLogP
1
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
95 °C · 95 °C
Boiling point
284 · 284.0±30.0 °C(Predicted)
Density
1.147 · 1.147±0.06 g/cm3(Predicted)
pka
7.28 · 7.28±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2932190090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
重庆卡兰医药有限公司[email protected]

Related reactions

3 records
New reaction record

Compound notes

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