Basic information
- CAS
71989-95-2- Standard SMILES
COc1cc(C=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
HVTQNCJLDBFXOU-UHFFFAOYSA-N- Molecular formula
- C18H18O7
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.10525291
Names & identifiers
- Preferred name
- 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate
- IUPAC
- (4-formyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
- English name
- 4-FORMYL-2-METHOXYPHENYL 3,4,5-TRIMETHOXYBENZOATE
- Molecular formula
- C18H18O7
- Molecular weight
- 346.33
Names & synonyms
4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate71989-95-2EINECS 276-269-5DTXSID60992679RefChem:99055DTXCID201419745276-269-5(4-formyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoateBenzoic acid,3,4,5-trimethoxy-, 4-formyl-2-methoxyphenyl esterMFCD00118266CBMicro_009000Oprea1_346877
Show more names
3,4,5-Trimethoxybenzoic acid 4-formyl-2-methoxyphenyl ester
Oprea1_539854HVTQNCJLDBFXOU-UHFFFAOYSA-NSMSF0004451WCA98995STK036667AKOS001037397CB12052UPCMLD0ENAT5258560:001
Database identifiers
- CAS
71989-95-2- PubChem CID
- 736552
- DTXSID
DTXSID60992679- EC Number
- 276-269-5
- Nikkaji
- J295.115K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 481.1 · 481.1±38.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- 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
Suppliers5 total
Ryan Scientific, Inc.[email protected]
ASDI-INTER[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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