Methyl 4-acetamido-2-methylbenzoate
Basic information
- CAS
91133-71-0- Standard SMILES
COC(=O)c1ccc(NC(C)=O)cc1C- InChIKey
SXVFWPMLEPDWEP-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- Methyl 4-acetamido-2-methylbenzoate
- IUPAC
- methyl 4-acetamido-2-methylbenzoate
- English name
- 4-Acetamido-2-methylbenzoic acid methyl ester
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
91133-71-0Methyl 4-acetamido-2-methylbenzoateMETHYL 4-ACETYLAMINO-2-METHYLBENZATEMethyl4-acetamido-2-methylbenzoateMFCD110428574-Acetylamino-2-methyl-benzoic acid methyl esterSCHEMBL5327455DTXSID40695151methyl 4-acetamido-2-methyl-benzoateAKOS022173078SB77199AS-38130
Show more names
4-Acetamido-2-methylbenzoic acid methyl esterBenzoic acid, 4-?(acetylamino)?-?2-?methyl-?, methyl ester
DB-305464CS-0172116F303328
Database identifiers
- CAS
91133-71-0- PubChem CID
- 53403243
- DTXSID
DTXSID40695151
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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