Basic information
- CAS
6301-16-2- Standard SMILES
C=CCc1cccc2cc(C(C)=O)c(=O)oc12- InChIKey
NEJFWOZMTMIYSE-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 3-Acetyl-8-allyl-2H-chromen-2-one
- IUPAC
- 3-acetyl-8-prop-2-enylchromen-2-one
- English name
- 3-acetyl-8-allyl-2H-chromen-2-one
- Molecular formula
- C14H12O3
- Molecular weight
- 228.25
Names & synonyms
3-Acetyl-8-allyl-2H-chromen-2-one6301-16-23-acetyl-8-prop-2-enylchromen-2-oneF1219-00663-Acetyl-8-(prop-2-en-1-yl)-2H-1-benzopyran-2-oneCoumarin, 3-acetyl-8-allyl-NSC44169DTXSID40286200NEJFWOZMTMIYSE-UHFFFAOYSA-NSMSSF-0064330NSC-44169AKOS000597557
Show more names
2H-1-Benzopyran-2-one, 3-acetyl-8-(2-propen-1-yl)-
1-(8-allyl-3-coumarinyl)-1-ethanone3-acetyl-2-oxo-8-prop-2-enylchromene3-Acetyl-8-allyl-2H-chromen-2-one #CS-0267246ST50102302AB00079974-01Z57704129
Database identifiers
- CAS
6301-16-2- PubChem CID
- 239255
- DTXSID
DTXSID40286200
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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