Basic information
- CAS
428845-48-1- Standard SMILES
Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1- InChIKey
BUXSBYXHQMQTOF-UHFFFAOYSA-N- Molecular formula
- C20H18O5
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.11542367
Names & identifiers
- Preferred name
- 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetic acid
- IUPAC
- 2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetic acid
- English name
- [(3-Benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetic acid
- Molecular formula
- C20H18O5
- Molecular weight
- 338.35
Names & synonyms
428845-48-12-((3-Benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)acetic acid2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetic acidRefChem:448115887-210-3[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetic acidMFCD029213882-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetic acidacetic acid, [[4,7-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-5-yl]oxy]-Oprea1_013592Oprea1_158003SCHEMBL5329826
Show more names
BB_SC-33112-[3-(benzyl)-2-keto-4,7-dimethyl-chromen-5-yl]oxyacetic acid2-[4,7-dimethyl-2-oxo-3-(phenylmethyl)chromen-5-yl]oxyacetic acid2-[4,7-dimethyl-2-oxo-3-(phenylmethyl)chromen-5-yl]oxyethanoic acid2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-5-chromenyl]oxy]acetic acidAcetic acid, 2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-5-yl]oxy]-
2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetic AcidALBB-015590STK716478AKOS001655707VS-09424CS-0280365EN300-302807H31205
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 573.4 · 573.4±50.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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]
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
MATRIX[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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