2-Acetyl-6-aminobenzoic acid

HCID 19089401CAS 103440-81-9
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Basic information

Standard SMILES
CC(=O)c1cccc(N)c1C(=O)O
InChIKey
JBTKGJYTOISBEZ-UHFFFAOYSA-N
Molecular formula
C9H9NO3
Average molar mass
179.17 g/mol
Monoisotopic mass
179.05824315

Names & identifiers

Preferred name
2-Acetyl-6-aminobenzoic acid
IUPAC
2-acetyl-6-aminobenzoic acid

Names & synonyms

2-acetyl-6-aminobenzoic acid2-amino-6-acetylbenzoic acid103440-81-9SCHEMBL7833293SCHEMBL31024653JBTKGJYTOISBEZ-UHFFFAOYSA-NDTXSID101309042

Database identifiers

CAS
103440-81-9
PubChem CID
19089401
DTXSID
DTXSID101309042

Properties

Computed structural properties

XLogP
1
Topological polar surface area
80.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Related reactions

2 records
New reaction record

Linked notes

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