Basic information
- CAS
20321-73-7- Standard SMILES
COc1ccc2c(c1)OC(C)(C)CC2=O- InChIKey
QXKXYXNEOUCMIY-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.09429431
Names & identifiers
- Preferred name
- 7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
- IUPAC
- 7-methoxy-2,2-dimethyl-3H-chromen-4-one
- English name
- 2,2-Dimethyl-7-methoxy-4-chromanone
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-oneRefChem:546669991-312-420321-73-77-methoxy-2,2-dimethylchroman-4-oneMFCD000685497-methoxy-2,2-dimethyl-3H-chromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-2,2-dimethyl-2,2-DIMETHYL-7-METHOXY-4-CHROMANONE7-Methoxy-2,2-dimethyl-chroman-4-one7-methoxy-2,2-dimethyl-4-chromanone4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-2,2-dimethyl-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Show more names
SCHEMBL224979SCHEMBL31260255DTXSID303455777-Methoxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one2,2-Dimethyl-7-methoxy-chromanoneAC5331STK497982AKOS000370136
Database identifiers
- CAS
20321-73-7- PubChem CID
- 605660
- DTXSID
DTXSID30345577- EC Number
- 991-312-4
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 329.4 · 329.4±41.0 °C(Predicted)
- Density
- 1.107 · 1.107±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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
天津福瑞凯科技有限公司15602163079 · [email protected]
上海太氟医药科技有限公司13524951390 18930958102 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
12 records
Compound notes
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