Basic information
- CAS
330638-41-0- Standard SMILES
COCc1ccc(C(=O)Nc2ccccc2C(=O)O)o1- InChIKey
HBWCAGUDVJJUJD-UHFFFAOYSA-N- Molecular formula
- C14H13NO5
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.07937252
Names & identifiers
- Preferred name
- 2-{[5-(Methoxymethyl)-2-furoyl]amino}benzoic acid
- IUPAC
- 2-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acid
- English name
- CHEMBRDG-BB 6063804
- Molecular formula
- C14H13NO5
- Molecular weight
- 275.26
Names & synonyms
330638-41-02-(5-(Methoxymethyl)furan-2-carboxamido)benzoic acid2-{[5-(METHOXYMETHYL)-2-FUROYL]AMINO}BENZOIC ACID2-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoic acidMFCD004905162-[5-(METHOXYMETHYL)FURAN-2-AMIDO]BENZOIC ACID2-{[5-(Methoxymethyl)furan-2-carbonyl]amino}benzoic acid2-([5-(Methoxymethyl)-2-furoyl]amino)benzoic acid2-[5-(Methoxymethyl)furan-2-carboxamido]benzoic acidCBMicro_043273Oprea1_402122Oprea1_525975
Show more names
CHEMBRDG-BB 6063804Benzoic acid, 2-[[[5-(methoxymethyl)-2-furanyl]carbonyl]amino]-2-{[5-(methoxymethyl)-2-furoyl]amino}benzoic acid(SALTDATA: FREE)
DTXSID60351065HTS14407STK733262AKOS000638990BS-37743BIM-0043422.P001DB-181910ST4006428
Database identifiers
- CAS
330638-41-0- PubChem CID
- 689502
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 368.2 · 368.2±42.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.36(Predicted)
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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