Basic information
- CAS
6093-80-7- Standard SMILES
COc1cc(OC)c2c(C)cc(=O)oc2c1- InChIKey
WFSKVHPOKPQJSU-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Overview
5,7-dimethoxy-4-methyl-1-benzopyran-2-one is a member of coumarins.
Names & identifiers
- Preferred name
- 5,7-Dimethoxy-4-methylcoumarin
- IUPAC
- 5,7-dimethoxy-4-methylchromen-2-one
- English name
- 4-Methyl-5,7-dimethoxycoumarin
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
6093-80-75,7-dimethoxy-4-methylcoumarin5,7-dimethoxy-4-methylchromen-2-oneDTXSID701346490RefChem:1072266DTXCID1017751505,7-Dimethoxy-4-methyl-2H-chromen-2-one4-METHYL-5,7-DIMETHOXYCOUMARIN5,7-Dimethoxy-4-methyl-chromen-2-oneNSC6887955,7-dimethoxy-4-methyl-2H-1-benzopyran-2-one57-Dimethoxy-4-methylcoumarin
Show more names
2H-1-Benzopyran-2-one, 5,7-dimethoxy-4-methyl-
ST061468BAS 00872573Coumarin derivative, 2bNCIMech_000204SCHEMBL67224MLS000032159orb1944762CHEMBL1324939
Database identifiers
- CAS
6093-80-7- PubChem CID
- 390799
- DTXSID
DTXSID701346490- ChEMBL
CHEMBL1324939- ChEBI
CHEBI:121071- EC Number
- 165-802-6
- Nikkaji
- J345.883K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2932209088 · 2932209088
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
- hs_code
- 2932209088
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
贝弗斯曼（武汉）生物科技有限公司0711-5919292 15307133740 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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