Basic information
- CAS
4756-92-7- Standard SMILES
O=C1NC(=O)C23CCCc4cccc(c42)C(=O)C13- InChIKey
KWUXACIWMYKRCI-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 5,6-Dihydro-1H,4H-acenaphtho(1,8a-c)pyrrole-1,3,10(2H,10aH)-trione
- IUPAC
- 13-azatetracyclo[7.5.1.01,11.05,15]pentadeca-5(15),6,8-triene-10,12,14-trione
- English name
- 3A,4,5,6-TETRAHYDROSUCCINIMIDO(3,4-B)-ACENAPHTHEN-10-ONE, 99
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
4756-92-7EINECS 225-293-45,6-Dihydro-1H,4H-acenaphtho(1,8a-c)pyrrole-1,3,10(2H,10aH)-trione9,10-Dihydro-1H,8H-acenaphtho[1,8a-c]pyrrole-1,3,4(2H,3ah)-trione3a,4,5,6-Tetrahydrosuccinimido(3,4-b)acenaphthen-10-one3a,4,5,6-Tetrahydrosuccinimido[3,4-b]acenaphthen-10-oneSCHEMBL3085881DTXSID1012048501H,4H-Acenaphtho[1,8a-c]pyrrole-1,3,10(2H,10aH)-trione, 5,6-dihydro-7,8-dihydroacenaphthen-2(6h)-on-1,8a-dicarboximide9,10-Dihydro-1H,8H-acenaphtho[1,8a-c]pyrrole-1,3,4(2H,3ah)-trione #7,8-Dihydro-2-oxo-1,8a(6H)-acenaphthenedicarboximide
Show more names
1-Oxo-2a,3,4,5-tetrahydroacenaphthene-2,2a-dicarbimide3A,4,5,6-TETRAHYDROSUCCINIMIDO(3,4-B)-ACENAPHTHEN-10-ONE, 993A,4,5,6-TETRAHYDROSUCCINIMIDO(3,4-B)-ACENAPHTHEN-10-ONE, 99%5,6-dihydro-1H,4H-acenaphtho[1,8a-c]pyrrole-1,3,10(2H,10aH)-trione5,6-Dihydro-1H-acenaphtho[1,8a-c]pyrrole-1,3,10(2H,4H,10aH)-trione5,6-Dihydro-1H,4H-acenaphtho[1,8a-c]pyrrole-1,3(2H),10(10aH)-trione
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 250 · 250-254 °C(lit.)
- Boiling point
- 538.4 · 538.4±50.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 7.93 · 7.93±0.20(Predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
1 records
Compound notes
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