Basic information
- CAS
62134-55-8- Standard SMILES
CC(=O)c1ccc(NC(=O)CCC(=O)O)cc1- InChIKey
HLGOIZJQTLJRAO-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- 4-(4-Acetylanilino)-4-oxobutanoic acid
- IUPAC
- 4-(4-acetylanilino)-4-oxobutanoic acid
- English name
- 4-(4-Acetylanilino)-4-oxobutanoic acid
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
4-(4-Acetylanilino)-4-oxobutanoic acid62134-55-8DTXSID90342002RefChem:287824DTXCID102930823-[(4-acetylphenyl)carbamoyl]propanoic acid4-[(4-acetylphenyl)amino]-4-oxobutanoic acidMFCD004408104-((4-Acetylphenyl)amino)-4-oxobutanoic acid3-[N-(4-acetylphenyl)carbamoyl]propanoic acidCBDivE_000517SCHEMBL2561693
Show more names
ARONIS017743AKOS BC-1897ASISCHEM W94977TIMTEC-BB SBB000733N-(4-ACETYL-PHENYL)-SUCCINAMIC ACID4-[(4-acetylphenyl)amino]-4-keto-butyric acid
HLGOIZJQTLJRAO-UHFFFAOYSA-NALBB-003005BBL037021SBB000733STK031266AKOS0002960204-(4-acetylanilino)-4-oxo-butanoic acidFA114593
Database identifiers
- CAS
62134-55-8- PubChem CID
- 577708
- DTXSID
DTXSID90342002
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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