(3-Methyl-6-oxopyridazin-1(6H)-yl)acetic acid
Basic information
- CAS
412018-60-1- Standard SMILES
Cc1ccc(=O)n(CC(=O)O)n1- InChIKey
COOXMAGVIUSQDU-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- (3-Methyl-6-oxopyridazin-1(6H)-yl)acetic acid
- IUPAC
- 2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
- English name
- 1(6H)-Pyridazineaceticacid,3-methyl-6-oxo-(9CI)
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
(3-methyl-6-oxopyridazin-1(6H)-yl)acetic acidRefChem:400402800-938-8412018-60-1(3-Methyl-6-oxo-6H-pyridazin-1-yl)-acetic acid2-(3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid2-(3-methyl-6-oxopyridazin-1(6H)-yl)acetic acidMFCD071863862-(3-methyl-6-oxopyridazin-1-yl)acetic acid1(6H)-Pyridazineaceticacid,3-methyl-6-oxo-(9CI)2-(3-methyl-6-oxohydropyridazinyl)acetic acid(3-methyl-6-oxo-1(6H)-pyridazinyl)acetic acid
Show more names
1(6H)-Pyridazineacetic acid, 3-methyl-6-oxo-(3-methyl-6-oxopyridazin-1(6H)-yl)acetic acid(SALTDATA: FREE)
SCHEMBL14446918DTXSID50390180MRA01860SBB010491AKOS000303039BS-37834ST50289374EN300-69556
Database identifiers
- CAS
412018-60-1- PubChem CID
- 3159587
- DTXSID
DTXSID50390180- EC Number
- 800-938-8
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 237 · 237-240 °C (decomp)
- Boiling point
- 349.3 · 349.3±44.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 3.6 · 3.60±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
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Related reactions
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Compound notes
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