1-Methylethyl 3,4,5-trimethoxybenzoate
Basic information
- CAS
6510-89-0- Standard SMILES
COc1cc(C(=O)OC(C)C)cc(OC)c1OC- InChIKey
WSGQQLRXHFUPKV-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- 1-Methylethyl 3,4,5-trimethoxybenzoate
- IUPAC
- propan-2-yl 3,4,5-trimethoxybenzoate
- English name
- 1-methylethyl 3,4,5-trimethoxybenzoate
- Molecular formula
- C13H18O5
- Molecular weight
- 254.28
Names & synonyms
1-Methylethyl 3,4,5-trimethoxybenzoate6510-89-0EINECS 229-402-6DTXSID50215405RefChem:76386DTXCID10137896229-402-6propan-2-yl 3,4,5-trimethoxybenzoate9Y4U6GS3XJSCHEMBL27921550WSGQQLRXHFUPKV-UHFFFAOYSA-NAKOS008947947
Show more names
3,4,5-Trimethoxybenzoic acid isopropyl ester3,4,5-Trimethoxybenzoic acid 1-methylethyl ester
NS00035808Benzoic acid, 3,4,5-trimethoxy-, 1-methylethyl ester
Database identifiers
- CAS
6510-89-0- PubChem CID
- 81005
- DTXSID
DTXSID50215405- UNII
- 9Y4U6GS3XJ
- EC Number
- 229-402-6
- Nikkaji
- J225.162K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- FDA UNII
- 9 Y4U6GS3XJ · 9Y4U6GS3XJ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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