Basic information
- CAS
354550-74-6- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1- InChIKey
XMYCNISKTAJGQV-UHFFFAOYSA-N- Molecular formula
- C15H17NO6
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.10558726
Names & identifiers
- Preferred name
- Dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
- IUPAC
- dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
- English name
- dimethyl 2-[(tetrahydro-2-furanylcarbonyl)amino]terephthalate
- Molecular formula
- C15H17NO6
- Molecular weight
- 307.29858
Names & synonyms
dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate354550-74-6MLS001206363SMR0005238742-[(Tetrahydro-furan-2-carbonyl)-amino]-terephthalic acid dimethyl esterdimethyl 2-[(tetrahydrofuran-2-ylcarbonyl)amino]benzene-1,4-dicarboxylateOprea1_217513Dimethyl 2-[(oxolane-2-carbonyl)amino]benzene-1,4-dicarboxylateCHEMBL1575535BDBM73897cid_2932469DTXSID901329698
Show more names
dimethyl 2-[(tetrahydro-2-furanylcarbonyl)amino]terephthalate
HMS2817N05HMS5164P09STK130601AKOS000652641AKOS022060856AK-968/371733041,4-dimethyl 2-(oxolane-2-amido)benzene-1,4-dicarboxylatedimethyl 2-(oxolan-2-ylcarbonylamino)benzene-1,4-dicarboxylate
Database identifiers
- CAS
354550-74-6- PubChem CID
- 2932469
- DTXSID
DTXSID901329698
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Solubility45.3 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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