Basic information
- CAS
91170-71-7- Standard SMILES
COc1ccc(S(=O)O)cc1NC(C)=O- InChIKey
WOYZAIPHFPXHCP-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- 3-(Acetylamino)-4-methoxybenzenesulfinic acid
- IUPAC
- 3-acetamido-4-methoxybenzenesulfinic acid
- English name
- 3-acetamido-4-methoxy-benzenesulfinic acid
- Molecular formula
- C9H11NO4S
- Molecular weight
- 0
Names & synonyms
3-(acetylamino)-4-methoxybenzenesulfinic acid91170-71-7DTXSID70301995RefChem:275033DTXCID902531293-acetamido-4-methoxybenzene-1-sulfinic acidNSC157645SCHEMBL472698WOYZAIPHFPXHCP-UHFFFAOYSA-NNSC147827NSC-147827NSC-157645
Show more names
3-acetamido-4-methoxy-benzenesulfinic acid
ST50406699EN300-226538
Database identifiers
- CAS
91170-71-7- PubChem CID
- 287731
- DTXSID
DTXSID70301995- Nikkaji
- J166.714I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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