2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid
Basic information
- CAS
160600-35-1- Standard SMILES
Cc1cc(=O)oc2c(C)c(OCC(=O)O)ccc12- InChIKey
UUOBHEVDLOLOHB-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.06847348
Names & identifiers
- Preferred name
- 2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid
- IUPAC
- 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetic acid
- English name
- CHEMBRDG-BB 7661786
- Molecular formula
- C13H12O5
- Molecular weight
- 248.23
Names & synonyms
2-((4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetic acid2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetic acidRefChem:448400842-826-1160600-35-1[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetic acidMFCD03848122[(4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy]-acetic acid[(4,8-Dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetic AcidSCHEMBL6109279
Show more names
BB_NC-0961OTAVA-BB 1090051CHEMBRDG-BB 76617864,8-dimethyl-7-(carboxymethyloxy) coumarin2-(2-keto-4,8-dimethyl-chromen-7-yl)oxyacetic acid2-[(4,8-dimethyl-2-oxo-7-chromenyl)oxy]acetic acid2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxyethanoic acid(4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YLOXY)-ACETIC ACID
DTXSID60358655Acetic acid, 2-[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-AKOS004938966VS-09619DB-190015CS-0215799EN300-302365F315516
Database identifiers
- CAS
160600-35-1- PubChem CID
- 907692
- DTXSID
DTXSID60358655- EC Number
- 842-826-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 456.2 · 456.2±45.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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