Basic information
- CAS
639825-25-5- Standard SMILES
CCC(=O)Oc1ccc(N)cc1C(=O)O- InChIKey
KMEBDVLEFCKVSX-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-(propanyloxy)benzoic acid
- IUPAC
- 5-amino-2-propanoyloxybenzoic acid
- English name
- Benzoic acid, 5-amino-2-(1-oxopropoxy)- (9CI)
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
639825-25-55-Amino-2-(propanyloxy)benzoic acidSCHEMBL3958391KMEBDVLEFCKVSX-UHFFFAOYSA-N5-amino-2-propanoyloxybenzoic acidBenzoic acid, 5-amino-2-(1-oxopropoxy)-DB-274598Benzoic acid, 5-amino-2-(1-oxopropoxy)- (9CI)
Database identifiers
- CAS
639825-25-5
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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