4-(3-Hydroxyanilino)-4-oxobutanoic acid
Basic information
- CAS
16141-43-8- Standard SMILES
O=C(O)CCC(=O)Nc1cccc(O)c1- InChIKey
TYCMBBJHYNTEAJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 4-(3-Hydroxyanilino)-4-oxobutanoic acid
- IUPAC
- 4-(3-hydroxyanilino)-4-oxobutanoic acid
- English name
- CHEMBRDG-BB 5539774
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
16141-43-84-(3-hydroxyanilino)-4-oxobutanoic acidDTXSID70359173RefChem:287646DTXCID503102274-((3-Hydroxyphenyl)amino)-4-oxobutanoic acid4-[(3-hydroxyphenyl)amino]-4-oxobutanoic acidMFCD007615183-[(3-hydroxyphenyl)carbamoyl]propanoic acid4-((3-Hydroxyphenyl)amino)-4-oxobutanoicacid4-[(3-Hydroxyphenyl)amino]-4-oxobutanoicacidChemDiv3_006288
Show more names
CHEMBRDG-BB 5539774OTAVA-BB 7020688097Butanoic acid, 4-[(3-hydroxyphenyl)amino]-4-oxo-4-[(3-hydroxyphenyl)amino]-4-oxobutanoic acid(SALTDATA: FREE)
HMS1490N18Oprea1_225101Oprea1_633771SCHEMBL11014261STK267890AKOS001694318IDI1_024198BS-35753
Database identifiers
- CAS
16141-43-8- PubChem CID
- 948872
- DTXSID
DTXSID70359173- Nikkaji
- J1.204.692H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 170 °C · 170 °C(Solv: methanol (67-56-1))
- Boiling point
- 535.4 · 535.4±35.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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