Ethyl 3-acetamidobenzoate

HCID 700589

Notes Reactions

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Basic information

CAS: 19305-32-9
Standard SMILES: CCOC(=O)c1cccc(NC(C)=O)c1
InChIKey: LVOGEXYCOVAAIH-UHFFFAOYSA-N
Molecular formula: C11H13NO3
Average molar mass: 207.23 g/mol
Monoisotopic mass: 207.08954328

Names & identifiers

Preferred name: Ethyl 3-acetamidobenzoate
IUPAC: ethyl 3-acetamidobenzoate

Names & synonyms

ethyl 3-acetamidobenzoateethyl 3-(acetylamino)benzoate19305-32-9F3096-1659SCHEMBL7808621DTXSID90351452LVOGEXYCOVAAIH-UHFFFAOYSA-N3-acetylaminobenzoic acid ethyl esterAKOS0022755015-(acetylamino)-benzoic acid ethyl esterST50181395SR-01000226075

Show more names

SR-01000226075-1Z54179241

Database identifiers

CAS: 19305-32-9
PubChem CID: 700589
DTXSID: DTXSID90351452
Nikkaji: J1.812.577C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 240

Related reactions

2 records

New reaction record

HRID 694137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1737225As reactantuspto-grants-1999_10

Compound notes

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