Basic information
- CAS
408312-82-3- Standard SMILES
COc1cc2c(cc1OC)C(=O)CC(C)C2- InChIKey
BBRBRTKBBDVNOL-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-one
- IUPAC
- 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
408312-82-36,7-Dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-oneRefChem:538691852-007-06,7-dimethoxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one6,7-Dimethoxy-3-methyl-3,4-dihydronaphthalen-1(2H)-oneAKOS0138022446,7-dimethoxy-3-methyl-tetralin-1-oneCS-0243178EN300-26034232
Database identifiers
- CAS
408312-82-3- PubChem CID
- 64478317
- EC Number
- 852-007-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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