2-[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoic acid
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Basic information
- CAS
314744-86-0- Standard SMILES
Cc1c(OC(C)C(=O)O)ccc2c1oc(=O)c1ccccc12- InChIKey
VIIZLJIIHXCDDN-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- 2-[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoic acid
- IUPAC
- 2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
- English name
- 2-(4-METHYL-6-OXO-6H-BENZO[C]CHROMEN-3-YLOXY)-PROPIONIC ACID
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
314744-86-02-[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]propanoic acid2-((4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy)propanoic acidMFCD020814272-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid2-({4-METHYL-6-OXO-6H-BENZO[C]CHROMEN-3-YL}OXY)PROPANOIC ACIDOprea1_4995232-[(4-Methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]propanoic acidDTXSID103781612-[(4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]-propanoic acidSTL303553AKOS002528133
Show more names
BB_SC-0961CHEMBRDG-BB 61621012-(4-methyl-6-oxobenzo[c]isochromen-3-yl)oxypropanoic acid2-(4-methyl-6-oxo-benzo[c]isochromen-3-yl)oxypropanoic acid2-[(4-methyl-6-oxo-3-benzo[c]isochromenyl)oxy]propanoic acid2-(6-keto-4-methyl-benzo[c]isochromen-3-yl)oxypropionic acid2-(4-METHYL-6-OXO-6H-BENZO[C]CHROMEN-3-YLOXY)-PROPIONIC ACID
AKOS017259112NS-05034DB-029128CS-0280144EN300-302773SR-01000005882SR-01000005882-12-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxypropanoic acid
Database identifiers
- CAS
314744-86-0- PubChem CID
- 2771990
- DTXSID
DTXSID10378161- EC Number
- 165-965-3
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
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.
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%)
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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