Basic information
- CAS
2669-94-5- Standard SMILES
O=C1CCc2cc(O)ccc2O1- InChIKey
ZCNZNVIRVHJXKV-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734411
Names & identifiers
- Preferred name
- 3,4-Dihydro-6-hydroxycoumarin
- IUPAC
- 6-hydroxy-3,4-dihydrochromen-2-one
- English name
- 3,4-dihydro-6-hydroxy-2H-1-benzopyran-2-one
- Molecular formula
- C9H8O3
- Molecular weight
- 164.16
Names & synonyms
2669-94-53,4-Dihydro-6-hydroxy-2H-1-benzopyran-2-one3,4-Dihydro-6-hydroxycoumarin6-Hydroxy-3,4-dihydrocoumarinHydrocoumarin, 6-hydroxy-2,5-Dihydroxyhydrocinnamic acid lactone2H-1-Benzopyran-2-one, 3,4-dihydro-6-hydroxy-N7HV736HNQNSC 169992EINECS 220-211-3NSC-169992DTXSID7062584
Show more names
RefChem:486193DTXCID3037547220-211-36-hydroxy-3,4-dihydro-2H-1-benzopyran-2-one6-hydroxychroman-2-one6-hydroxy-3,4-dihydrochromen-2-oneCHEMBL2426599NSC169992
Database identifiers
- CAS
2669-94-5- PubChem CID
- 64809
- DTXSID
DTXSID7062584- ChEMBL
CHEMBL2426599- UNII
- N7HV736HNQ
- EC Number
- 220-211-3
- Nikkaji
- J192.182G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 162 · 162-163 °C
- Boiling point
- 132 · 132-157 °C(Press: 5-6 Torr)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.20(Predicted)
- FDA UNII
- 7 HV736HNQ · N7HV736HNQ
- EPA Substance Registry System
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 3,4-dihydro-6-hydroxy- (2669-94-5)
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-2-one, 3,4-dihydro-6-hydroxy-: INACTIVE
Suppliers1 total
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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