Basic information
- CAS
2472-13-1- Standard SMILES
COc1cc2c(cc1OC)CC(=O)CC2- InChIKey
KJPMWVKPVCVZNK-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-2-tetralone
- IUPAC
- 6,7-dimethoxy-3,4-dihydro-1H-naphthalen-2-one
- English name
- 6,7-Dimethoxy-2-tetralone
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
2472-13-16,7-Dimethoxy-2-tetraloneDTXSID50346127RefChem:306210DTXCID90297200KJPMWVKPVCVZNK-UHFFFAOYSA-N6,7-Dimethoxy-3,4-dihydronaphthalen-2(1H)-one6,7-Dimethoxy-3,4-dihydro-1H-naphthalen-2-one6,7-dimethoxyl-2-tetralone2(1H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-oneCHEMBL192267
Show more names
6,7-Dimethoxy-3,4-dihydro-1H-phthalen-2-one6,7-Dimethoxy-3,4-dihydro-2(1H)-naphthalenone2(1H)-Naphthalenone,3,4-dihydro-6,7-dimethoxy-
6,7-dimethoxytetralin-2-oneMFCD00009687orb3144047SCHEMBL2241521CS-B0117BDBM50159276TYD-03386AKOS015902219
Database identifiers
- CAS
2472-13-1- PubChem CID
- 609844
- DTXSID
DTXSID50346127- ChEMBL
CHEMBL192267- Nikkaji
- J236.728I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 87 · 87-89 °C(lit.)
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
12 records
Compound notes
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