Basic information
- CAS
14563-40-7- Standard SMILES
COC(=O)CCC(=O)c1ccc(OC)c(OC)c1- InChIKey
RUENABICCRWAEK-UHFFFAOYSA-N- Molecular formula
- C13H16O5
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.09977361
Names & identifiers
- Preferred name
- Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
- IUPAC
- methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
- English name
- Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,methyl ester
- Molecular formula
- C13H16O5
- Molecular weight
- 252.26
Names & synonyms
14563-40-7methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoateMethyl 4-(3,4-dimethoxyphenyl)-4-oxobutyrateMFCD00795206NSC286138Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,methyl esterDTXSID10314569AKOS005943782NSC 286138NSC-286138DS-006845methyl4-(3,4-dimethoxyphenyl)-4-oxobutanoate
Show more names
Methyl 3,4-dimethoxy-γ-oxobenzenebutanoateMethyl 3,4-dimethoxy-γ-oxobenzenebutanoateBenzenebutanoic acid, 3,4-dimethoxy-γ-oxo-, methyl ester
methyl 4-(3,4-dimethoxyphenyl)-4-oxo-butanoateF394309
Database identifiers
- CAS
14563-40-7- PubChem CID
- 323673
- DTXSID
DTXSID10314569- Nikkaji
- J827.828H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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