ChemicalBook--->CAS DataBase List--->28163-84-0

28163-84-0

28163-84-0 Structure

28163-84-0 Structure
IdentificationBack Directory
[Name]

(E)-hept-3-enoic acid
[CAS]

28163-84-0
[Synonyms]

(E)-3-Heptenoic acid
(E)-hept-3-enoic acid
3-Heptenoic acid, (3E)-
[EINECS(EC#)]

248-876-5
[Molecular Formula]

C7H12O2
[MOL File]

28163-84-0.mol
[Molecular Weight]

128.17
Chemical PropertiesBack Directory
[Boiling point ]

77 °C(Press: 0.5 Torr)
[density ]

0.968±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

4.37±0.10(Predicted)
[InChI]

1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
[InChIKey]

BCYXFRMDZWKZSF-SNAWJCMRSA-N
[SMILES]

CCC\C=C\CC(O)=O
[LogP]

1.854 (est)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Definition]

ChEBI: Beta-heptenoic acid is a medium-chain fatty acid.
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