2-((6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanoic acid
Basic information
- CAS
307548-90-9- Standard SMILES
Cc1c(OC(C)C(=O)O)ccc2c3c(c(=O)oc12)CCC3- InChIKey
DWNZLQPWQLNPRS-UHFFFAOYSA-N- Molecular formula
- C16H16O5
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09977361
Names & identifiers
- Preferred name
- 2-((6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanoic acid
- IUPAC
- 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoic acid
- English name
- 2-(6-METHYL-4-OXO-1,2,3,4-TETRAHYDRO-CYCLOPENTA[C]CHROMEN-7-YLOXY)-PROPIONIC ACID
- Molecular formula
- C16H16O5
- Molecular weight
- 288.3
Names & synonyms
307548-90-92-((6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanoic acid2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoic acid2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoic acid2-({6-METHYL-4-OXO-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-7-YL}OXY)PROPANOIC ACID2-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta-[c]chromen-7-yl)oxy]propanoic acidPropanoic acid, 2-[(1,2,3,4-tetrahydro-6-methyl-4-oxocyclopenta[c][1]benzopyran-7-yl)oxy]-2-((6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanoicacid2-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoicacidMFCD02059336CBMicro_002085Oprea1_516131
Show more names
WYE-176272BAS 02235967STOCK4S-44623BIM-0001947.P001CHEMBRDG-BB 6157486OTAVA-BB 7210430502
Oprea1_571969CHEMBL3964518SCHEMBL13381576DTXSID803781582-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoic acidSMSF0015464STK716461AKOS000532000
Database identifiers
- CAS
307548-90-9- PubChem CID
- 2771985
- DTXSID
DTXSID80378158- ChEMBL
CHEMBL3964518
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 507.9 · 507.9±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…