2-[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxyacetic acid
Basic information
- CAS
302951-18-4- Standard SMILES
COc1ccc(Oc2coc3cc(OCC(=O)O)ccc3c2=O)cc1- InChIKey
XLYKDLBSXBWYKC-UHFFFAOYSA-N- Molecular formula
- C18H14O7
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.07395278
Names & identifiers
- Preferred name
- 2-[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxyacetic acid
- IUPAC
- 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetic acid
Names & synonyms
2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetic acid302951-18-42-((3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl)oxy)acetic acid2-{[3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetic acidCBMicro_0496192-[3-(4-methoxyphenoxy)-4-oxochromen-7-yloxy]acetic acidOprea1_277215Oprea1_613843HMS1610E19CCG-16645SBB015401STK629887
Show more names
AKOS000273149NS-05590BIM-0049662.P001EU-0038249ST50189009{[3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetic acid{[3-(4-methoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid{[3-(4-Methoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetic acid, AldrichCPR
Database identifiers
- CAS
302951-18-4- PubChem CID
- 719940
- EC Number
- 109-242-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
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]
P264, P270, P301+P317, P330, 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%)
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Related reactions
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Compound notes
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