Basic information
- CAS
21392-48-3- Standard SMILES
Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12- InChIKey
ZRMUHRWNDDQVEX-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one
- IUPAC
- 7-hydroxy-8-methyl-4-phenylchromen-2-one
- English name
- 7-Hydroxy-8-methyl-4-phenyl-2H-chromen-2-one
- Molecular formula
- C16H12O3
- Molecular weight
- 252.26
Names & synonyms
7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one21392-48-3DTXSID20416624RefChem:310861DTXCID503674737-hydroxy-8-methyl-4-phenylchromen-2-oneMFCD01472303MLS001197424SMR0005553377-Hydroxy-8-methyl-4-phenyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 7-hydroxy-8-methyl-4-phenyl-ChemDiv2_000641
Show more names
7-hydroxy-8-methyl-4-phenyl-coumarin7-hydroxy-8-methyl-4-phenyl-2-chromenone7-hydroxy-8-methyl-4-phenyl-chromen-2-one
Oprea1_4707472H-1-Benzopyran-2-one,7-hydroxy-8-methyl-4-phenyl-IFLab1_001736CHEMBL1372308SCHEMBL18073979BDBM54446cid_5336569HMS1370N03
Database identifiers
- CAS
21392-48-3- PubChem CID
- 5336569
- DTXSID
DTXSID20416624- ChEMBL
CHEMBL1372308- EC Number
- 166-212-1
- Nikkaji
- J2.212.253C
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
- 381
Physicochemical properties
- Melting point
- 279 · 279-280 °C
- Boiling point
- 457.9 · 457.9±45.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 8.16 · 8.16±0.20(Predicted)
- HazardClass
- IRRITANT
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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