N-Allylisatoic anhydride
Basic information
- CAS
50784-07-1- Standard SMILES
C=CCn1c(=O)oc(=O)c2ccccc21- InChIKey
LPYKDXKUIKQFQI-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- N-Allylisatoic anhydride
- IUPAC
- 1-prop-2-enyl-3,1-benzoxazine-2,4-dione
- English name
- N-ALLYLISATOIC ANHYDRIDE
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
N-Allylisatoic anhydride50784-07-1DTXSID60352830RefChem:363173DTXCID303038941-prop-2-enyl-3,1-benzoxazine-2,4-dione1-Allyl-1H-benzo[d][1,3]oxazine-2,4-dione1-Allyl-1,4-dihydro-2H-3,1-benzoxazine-2,4-dioneSCHEMBL4593193CHEMBL2146659LPYKDXKUIKQFQI-UHFFFAOYSA-NAKOS002751851
Show more names
N-Allylisatoic anhydride 98%2H-3,1-Benzoxazine-2,4(1H)-dione, 1-(2-propen-1-yl)-
DB-0518441-Allyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione1-(Prop-2-en-1-yl)-2H-3,1-benzoxazine-2,4(1H)-dione
Database identifiers
- CAS
50784-07-1- PubChem CID
- 735787
- DTXSID
DTXSID60352830- ChEMBL
CHEMBL2146659- Nikkaji
- J1.324.737D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 104 · 104-106
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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