Basic information
- CAS
86-44-2- Standard SMILES
Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12- InChIKey
IDFOCEQDKOOOER-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.09429431
Names & identifiers
- Preferred name
- 3-Benzyl-4-methylumbelliferone
- IUPAC
- 3-benzyl-7-hydroxy-4-methylchromen-2-one
- English name
- 3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one
- Molecular formula
- C17H14O3
- Molecular weight
- 266.29
Names & synonyms
86-44-23-Benzyl-4-methylumbelliferon3-Benzyl-4-methylumbelliferone2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-(phenylmethyl)-6UZY4BZ33H2H-Chromen-2-one, 3-benzyl-7-hydroxy-4-methyl-NSC-43673RefChem:10673803-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one3-Benzyl-7-hydroxy-4-methylcoumarinMFCD000476433-benzyl-7-hydroxy-4-methylchromen-2-one
Show more names
7-hydroxy-4-methyl-3-(phenylmethyl)chromen-2-one7-hydroxy-4-methyl-3-(phenylmethyl)-2-chromenone3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one, 7-Hydroxy-4-methyl-3-(phenylmethyl)-2H-1-benzopyran-2-one
3-Benzyl-4-methyl-7-hydroxycoumarinBenzyl .beta.-methylumbelliferone3-Benzyl-7-hydroxy-4-methyl-chromen-2-oneNSC43673Coumarin, 3-benzyl-7-hydroxy-4-methyl-CHEMBL5920422H-1-Benzopyran-2-one,7-hydroxy-4-methyl-3-(phenylmethyl)-NSC 43673
Database identifiers
- CAS
86-44-2- PubChem CID
- 5338538
- DTXSID
DTXSID5075361- ChEMBL
CHEMBL592042- UNII
- 6UZY4BZ33H
- EC Number
- 166-205-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- FDA UNII
- 6 UZY4BZ33H · 6UZY4BZ33H
- EPA Substance Registry System
- 3 · 3-Benzyl-4-methyl-7-hydroxycoumarin (86-44-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2932209088 · 2932209088
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- hs_code
- 2932209088
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
10 records
Compound notes
Loading…