Benzyl hydrogen 3-thienylmalonate
Basic information
- CAS
21080-93-3- Standard SMILES
O=C(CC(=O)Oc1ccsc1)OCc1ccccc1- InChIKey
HTYMOKZUHAKHLM-UHFFFAOYSA-N- Molecular formula
- C14H12O4S
- Average molar mass
- 276.31 g/mol
- Monoisotopic mass
- 276.04563003
Names & identifiers
- Preferred name
- Benzyl hydrogen 3-thienylmalonate
- IUPAC
- 1-O-benzyl 3-O-thiophen-3-yl propanedioate
Names & synonyms
Benzyl hydrogen 3-thienylmalonatebenzyl thiophen-3-yl propanedioateDTXSID10943393HTYMOKZUHAKHLM-UHFFFAOYSA-NEINECS 244-199-4
Database identifiers
- CAS
21080-93-3- PubChem CID
- 88783
- DTXSID
DTXSID10943393- EC Number
- 244-199-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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