Benzoic acid, 2-((2-ethoxy-2-oxoacetyl)amino)-
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Basic information
- CAS
51679-85-7- Standard SMILES
CCOC(=O)C(=O)Nc1ccccc1C(=O)O- InChIKey
MYXIPVXKCGHPIQ-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Benzoic acid, 2-((2-ethoxy-2-oxoacetyl)amino)-
- IUPAC
- 2-[(2-ethoxy-2-oxoacetyl)amino]benzoic acid
- English name
- 2-{[ethoxy(oxo)acetyl]amino}benzoic acid
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
51679-85-7B2NA5T7JUS2-(Ethoxyoxalylamino)benzoic acidBenzoic acid, 2-((ethoxyoxoacetyl)amino)-NSC-159702Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-BENZOIC ACID, 2-((2-ETHOXY-2-OXOACETYL)AMINO)-RefChem:10789422-{[ethoxy(oxo)acetyl]amino}benzoic acid2-(2-ethoxy-2-oxoacetamido)benzoic acid2-[(2-ethoxy-2-oxoacetyl)amino]benzoic acidOXANILIC ACID, o-CARBOXY-alpha-ETHYL ESTER
Show more names
2-(Ethoxycarbonylcarbonylamino)benzoic acid2-[(2-ethoxy-2-oxo-acetyl)amino]benzoic acid2-[(2-ethoxy-2-keto-acetyl)amino]benzoic acid2-[(2-ethoxy-1,2-dioxoethyl)amino]benzoic acid
MFCD00966381o-Carboxy-alpha-ethyl oxanilateNSC 159702AI3-30820NSC159702UNII-B2NA5T7JUSn-ethoxalylanthranilic acidSCHEMBL6997874
Database identifiers
- CAS
51679-85-7- PubChem CID
- 40082
- DTXSID
DTXSID10199636- UNII
- B2NA5T7JUS
- Nikkaji
- J77.226G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 NA5T7JUS · B2NA5T7JUS
- 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
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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