2-(3-Methylbenzamido)benzoic acid
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Basic information
- CAS
299199-54-5- Standard SMILES
Cc1cccc(C(=O)Nc2ccccc2C(=O)O)c1- InChIKey
KGPDYIRCCGMCOI-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 2-(3-Methylbenzamido)benzoic acid
- IUPAC
- 2-[(3-methylbenzoyl)amino]benzoic acid
- English name
- 2-[(3-METHYLBENZOYL)AMINO]BENZOIC ACID
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
2-(3-methylbenzamido)benzoic acid299199-54-52-[(3-methylbenzoyl)amino]benzoic acidMFCD004334692-[(3-methylbenzoyl)amino]benzenecarboxylic acidOprea1_6292772-(3-methylbenzamido)benzoicacidAKOS000264029MS-0094ST4000652CS-02211052-[(3-methylphenyl)carbonylamino]benzoic acid
Show more names
Benzoic acid, 2-[(3-methylbenzoyl)amino]-
EN300-08355SR-01000507383SR-01000507383-1Z56968517F3386-5639
Database identifiers
- CAS
299199-54-5- PubChem CID
- 689157
- EC Number
- 154-889-6
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 369.8 · 369.8±35.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.36(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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