Basic information
- CAS
54057-51-1- Standard SMILES
COc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OC)c1OC- InChIKey
CSHJCFPMERZZTN-UHFFFAOYSA-N- Molecular formula
- C17H17NO6
- Average molar mass
- 331.32 g/mol
- Monoisotopic mass
- 331.10558726
Names & identifiers
- Preferred name
- Benzoic acid, 4-(3,4,5-trimethoxybenzamido)-
- IUPAC
- 4-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
- English name
- Benzoic acid, 4-(3,4,5-trimethoxybenzamido)-
- Molecular formula
- C17H17NO6
- Molecular weight
- 331.32
Names & synonyms
BENZOIC ACID, 4-(3,4,5-TRIMETHOXYBENZAMIDO)-BRN 277697254057-51-1p-N-(3,4,5-Trimethoxybenzamido)benzoic acidDTXSID00202380RefChem:327424DTXCID001248714-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid4-(3,4,5-TRIMETHOXYBENZAMIDO)BENZOIC ACIDSCHEMBL1458094AKOS000106225ST50721811
Show more names
Benzoic acid, 4-[(3,4,5-trimethoxybenzoyl)amino]-
4-[(3,4,5-trimethoxyphenyl)carbonylamino]benzoic acid
Database identifiers
- CAS
54057-51-1- PubChem CID
- 40978
- DTXSID
DTXSID00202380- Nikkaji
- J87.851K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 467.1 · 467.1±45.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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