4-Oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate
Basic information
- CAS
21260-40-2- Standard SMILES
CC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3- InChIKey
IMGBRUFRLUUMEW-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- 4-Oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate
- IUPAC
- (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
- English name
- 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate21260-40-2(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetateEnamine_000200Oprea1_334155Oprea1_456335HMS1394J02EiM07-13762STK858667AKOS000620559EU-0003278ST50101356
Show more names
Cyclopenta[c][1]benzopyran-4(1H)-one, 7-(acetyloxy)-2,3-dihydro-
UNM000000528001AF-399/34135040SR-01000417608SR-01000417608-1Z296030974-oxo-1,2,3-trihydrocyclopenta[1,2-c]chromen-7-yl acetate4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl acetateACETIC ACID 4-OXO-1,2,3,4-TETRAHYDRO-CYCLOPENTA(C)CHROMEN-7-YL ESTER
Database identifiers
- CAS
21260-40-2- PubChem CID
- 764192
- EC Number
- 151-064-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 429.2 · 429.2±40.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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