5,6-Dimethoxypyridin-2-ol
Basic information
- CAS
1206456-20-3- Standard SMILES
COc1ccc(=O)[nH]c1OC- InChIKey
CTNOHOBCYBMASQ-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Names & identifiers
- Preferred name
- 5,6-Dimethoxypyridin-2-ol
- IUPAC
- 5,6-dimethoxy-1H-pyridin-2-one
- English name
- 5,6-Dimethoxypyridin-2-ol
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
5,6-dimethoxypyridin-2-ol1206456-20-35,6-dimethoxy-1H-pyridin-2-oneMFCD216094825,6-dimethoxy-2(1H)-PyridinoneGYB456205,6-Dimethoxypyridin-2-ol, AldrichCPR5,6-dimethoxy-1,2-dihydropyridin-2-oneEN300-17040692(1H)-Pyridinone, 5,6-dimethoxy-
Database identifiers
- CAS
1206456-20-3- PubChem CID
- 71299136
- EC Number
- 109-470-2
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 407.5 · 407.5±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 8.65 · 8.65±0.10(Predicted)
- form
- solid
- InChI
- 1S/C7H9NO3/c1-10-5-3-4-6(9)8-7(5)11-2/h3-4H,1-2H3,(H,8,9)
- InChIKey
- CTNOHOBCYBMASQ-UHFFFAOYSA-N
- SMILES
- COc1ccc(O)nc1OC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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, P270, P301+P317, P330, 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
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Suppliers
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Compound notes
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