Basic information
- CAS
19380-05-3- Standard SMILES
CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@H]1O- InChIKey
UJSHBYQGQRPVNO-LLVKDONJSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Overview
(+)-lomatin is a member of coumarins.
Names & identifiers
- Preferred name
- (+)-Lomatin
- IUPAC
- (9R)-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
- English name
- (9R)-8,8-Dimethyl-9,10-dihydro-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-ol
- Molecular formula
- C14H14O4
- Molecular weight
- 246.26
Names & synonyms
(+)-Lomatin(9R)-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one(9R)-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano(2,3-h)chromen-2-oneRefChem:1048966Jatamansinol19380-05-32H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)-SMR000445662CHEMBL503137MLS000728549MLS001163815SCHEMBL29707947
Show more names
Lomatin(9R)-8,8-Dimethyl-9,10-dihydro-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-ol(R)-9,10-Dihydro-9-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one(9R)-8,8-Dimethyl-9α-hydroxy-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (9R)-
CHEBI:233332UJSHBYQGQRPVNO-LLVKDONJSA-NHMS2203I19(R)-9-Hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-oneAKOS030501953L204188(R)-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2(8H)-one9-Hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one #
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 442.658 · 442.658±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.919 · 13.919±0.40(predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Chemistry & industry
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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