Basic information
- CAS
34376-24-4- Standard SMILES
CC(=O)CC(=O)Nc1ccc(C(=O)O)cc1- InChIKey
NTVPMGIWCMTNMD-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- p-Carboxyacetoacetanilide
- IUPAC
- 4-(3-oxobutanoylamino)benzoic acid
Names & synonyms
p-Carboxyacetoacetanilide34376-24-4Benzoic acid, 4-[(1,3-dioxobutyl)amino]-4-(3-oxobutanoylamino)benzoic acid4-[(1,3-dioxobutyl)amino]Benzoic acid4-(3-OXOBUTANAMIDO)BENZOIC ACIDSCHEMBL2560745DTXSID50334428NTVPMGIWCMTNMD-UHFFFAOYSA-N4-(Acetoacetylamino)benzoic acid #AKOS010501572DB-324835
Show more names
ST51014103
Database identifiers
- CAS
34376-24-4- PubChem CID
- 520686
- DTXSID
DTXSID50334428- Nikkaji
- J973.862B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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