Basic information
- CAS
54879-45-7- Standard SMILES
COc1cc2ccncc2c(OC)c1OC- InChIKey
UPLOKTSIJATUTQ-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 6,7,8-Trimethoxyisoquinoline
- IUPAC
- 6,7,8-trimethoxyisoquinoline
- English name
- Isoquinoline, 6,7,8-trimethoxy- (9CI)
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
6,7,8-Trimethoxyisoquinoline54879-45-7Isoquinoline, 6,7,8-trimethoxy-DTXSID90346525RefChem:306096DTXCID80297597UPLOKTSIJATUTQ-UHFFFAOYSA-NIsoquinoline, 6,7,8-trimethoxy- (9CI)CHEMBL5387336,7,8-Trimethoxy-isochinolinSCHEMBL3247027CHEMBL1189416
Show more names
BDBM50014654MFCD18971544SY512554DB-326515EN300-7536709
Database identifiers
- CAS
54879-45-7- PubChem CID
- 613011
- DTXSID
DTXSID90346525- ChEMBL
CHEMBL1189416、CHEMBL538733
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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