6-hydroxy-4-methyl-3-phenyl-2H-chromen-2-one
Basic information
- CAS
82488-68-4- Standard SMILES
Cc1c(-c2ccccc2)c(=O)oc2ccc(O)cc12- InChIKey
YZUFVEBRGXHFJJ-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 6-hydroxy-4-methyl-3-phenyl-2H-chromen-2-one
- IUPAC
- 6-hydroxy-4-methyl-3-phenylchromen-2-one
- English name
- 6-hydroxy-4-methyl-3-phenylchromen-2-one
- Molecular formula
- C16H12O3
- Molecular weight
- 252.26468
Names & synonyms
6-hydroxy-4-methyl-3-phenyl-2H-chromen-2-one82488-68-4RefChem:543397839-358-56-hydroxy-4-methyl-3-phenylchromen-2-one6-hydroxy-4-methyl-3-phenylcoumarinMLS001167048SCHEMBL5425943CHEMBL1588517YZUFVEBRGXHFJJ-UHFFFAOYSA-NDTXSID901368975HMS2954A15
Show more names
MFCD02093200SBB042218STL0332476-Hydroxy-4-methyl-3-phenyl coumarinAKOS000270926AS-94829SMR000641345CS-0247317
Database identifiers
- CAS
82488-68-4- PubChem CID
- 688972
- DTXSID
DTXSID901368975- ChEMBL
CHEMBL1588517- EC Number
- 839-358-5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- InChI
- InChI=1S/C16H12O3/c1-10-13-9-12(17)7-8-14(13)19-16(18)15(10)11-5-3-2-4-6-11/h2-9,17H,1H3
- InChIKey
- YZUFVEBRGXHFJJ-UHFFFAOYSA-N
- SMILES
- C1(=O)OC2=C(C=C(O)C=C2)C(C)=C1C1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2932209090 · 2932209090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
- hs_code
- 2932209090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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