2-(4-Ethoxyphenyl)-2-oxoacetic acid
Basic information
- CAS
70080-55-6- Standard SMILES
CCOc1ccc(C(=O)C(=O)O)cc1- InChIKey
ISHDMYCQBZTUSC-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenyl)-2-oxoacetic acid
- IUPAC
- 2-(4-ethoxyphenyl)-2-oxoacetic acid
- English name
- 2-(4-Ethoxyphenyl)-2-oxoacetic acid
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
2-(4-ethoxyphenyl)-2-oxoacetic acid70080-55-64-Ethoxy-benzoylformic acidMFCD026660782-(4-ethoxyphenyl)-2-oxo-acetic Acid4-Ethoxy-benzoylformicacidSCHEMBL8341465(4-Ethoxyphenyl)(oxo)acetic acidISHDMYCQBZTUSC-UHFFFAOYSA-NDTXSID301302111alpha-oxo-4-ethoxyphenylacetic acid4-Ethoxy-I+/--oxobenzeneacetic acid
Show more names
Benzeneacetic acid, 4-ethoxy-α-oxo-
AKOS009312826(4-ETHOXY-PHENYL)-OXO-ACETIC ACIDCS-0344204EN300-1828170
Database identifiers
- CAS
70080-55-6- PubChem CID
- 5054841
- DTXSID
DTXSID301302111- Nikkaji
- J1.548.660K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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 statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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