Basic information
- CAS
56394-28-6- Standard SMILES
Cc1ccc2oc(=O)c(C#N)c(C)c2c1- InChIKey
UXGFULJYXBXUDP-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 3-Cyano-4,6-dimethylcoumarin
- IUPAC
- 4,6-dimethyl-2-oxochromene-3-carbonitrile
- English name
- 3-CYANO-4,6-DIMETHYLCOUMARIN
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.21
Names & synonyms
3-Cyano-4,6-dimethylcoumarin56394-28-64,6-dimethyl-2-oxochromene-3-carbonitrileDTXSID20327983RefChem:278693DTXCID202790944,6-dimethyl-2-oxo-2h-chromene-3-carbonitrileSCHEMBL196359443-Cyano-4,6-dimethylcoumarin, 97%AKOS015914348AS-830584,6-dimethyl-2-oxo-chromene-3-carbonitrile
Show more names
JR-8706, 3-Cyano-4,6-dimethylcoumarin, 97%4,6-dimethyl-2-oxo-1-benzopyran-3-carbonitrile2H-1-Benzopyran-3-carbonitrile, 4,6-dimethyl-2-oxo-
NSC7088974,6-dimethyl-2-oxochromA831032orb2940932SCHEMBL30876199SBB067571TXB-00186FC66374
Database identifiers
- CAS
56394-28-6- PubChem CID
- 398765
- DTXSID
DTXSID20327983
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 202 · 202-207 °C(lit.)
- CAS DataBase Reference
- 56394 · 56394-28-6(CAS DataBase Reference)
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Applications
Uses3-Cyano-4,6-dimethylcoumarin is a biochemical reagent.
Suppliers15 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
Aladdin Scientific[email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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