Basic information
- CAS
52935-96-3- Standard SMILES
C=CCC1C(=O)CC(C(=O)OC)CC1=O- InChIKey
AJRVHWIHRHVDBE-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- Methyl 4-Allyl-3,5-Dioxo-1-Cyclohexanecarboxylate
- IUPAC
- methyl 3,5-dioxo-4-prop-2-enylcyclohexane-1-carboxylate
- English name
- Methyl 4-allyl-3 5-dioxo-1-cyclohexane-&
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
52935-96-3Methyl 4-Allyl-3,5-Dioxo-1-CyclohexanecarboxylateDTXSID30350787RefChem:355519DTXCID70301854methyl 3,5-dioxo-4-prop-2-enylcyclohexane-1-carboxylateMETHYL 3,5-DIOXO-4-(PROP-2-EN-1-YL)CYCLOHEXANE-1-CARBOXYLATEMethyl 4-allyl-3,5-dioxocyclohexane-1-carboxylateSCHEMBL7952626MFCD00010808methyl 4-allyl-3,5-dioxo-cyclohexanecarboxylateMethyl 3,5-dioxo-4-(2-propen-1-yl)cyclohexanecarboxylate
Show more names
AJRVHWIHRHVDBE-UHFFFAOYSA-NMethyl 4-allyl-3 5-dioxo-1-cyclohexane-&METHYL 4-ALLYL-3,5-DIOXO-1-CYCLOHEXANECARBOXYATEmethyl 4-allyl-3,5-dioxo-1-cyclohexane-carboxylat4-Allyl-3,5-dioxo-1-cyclohexanecarboxylic acid methyl esterCyclohexanecarboxylic acid, 3,5-dioxo-4-(2-propen-1-yl)-, methyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 128 · 128-132 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers1 total
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…