Basic information
- CAS
331670-04-3- Standard SMILES
Cc1ccc(OCc2occc2C(=O)O)cc1- InChIKey
YUKSPCVAXVOFAB-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 2-[(4-Methylphenoxy)methyl]-3-furoic acid
- IUPAC
- 2-[(4-methylphenoxy)methyl]furan-3-carboxylic acid
- English name
- CHEMBRDG-BB 5404455
- Molecular formula
- C13H12O4
- Molecular weight
- 232.23
Names & synonyms
331670-04-32-[(4-METHYLPHENOXY)METHYL]-3-FUROIC ACID2-[(4-methylphenoxy)methyl]furan-3-carboxylic acid2-((P-tolyloxy)methyl)furan-3-carboxylic acidMFCD004428703-furancarboxylic acid, 2-[(4-methylphenoxy)methyl]-Oprea1_405215Oprea1_821347MLS000106435CHEMBL1574769DTXSID70353994HMS2744C07
Show more names
ST5020318BAS 04847198CHEMBRDG-BB 54044552-p-Tolyloxymethyl-furan-3-carboxylic acid
ALBB-023599SBB071690STK733529AKOS000597753LS-07449SMR0001034022-[(4-Methylphenoxy)methyl]-3-furoicacidDB-192184
Database identifiers
- CAS
331670-04-3- PubChem CID
- 761102
- DTXSID
DTXSID70353994- ChEMBL
CHEMBL1574769
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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