Pinonic acid oxime
Basic information
- CAS
90978-91-9- Standard SMILES
C/C(=N\O)C1CC(CC(=O)O)C1(C)C- InChIKey
INCRTJCZZQLOSX-IZZDOVSWSA-N- Molecular formula
- C10H17NO3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.1208434
Names & identifiers
- Preferred name
- Pinonic acid oxime
- IUPAC
- 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
- English name
- INCRTJCZZQLOSX-IZZDOVSWSA-N
- Molecular formula
- C10H17NO3
- Molecular weight
- 199.24688
Names & synonyms
PINONIC ACID OXIMERefChem:863361654-202-490978-91-92-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acidMLS000738185NSC127947NSC-1279472-(3-(1-(Hydroxyimino)ethyl)-2,2-dimethylcyclobutyl)acetic acidCHEMBL1982547AKOS024323355SMR000528569
Show more names
INCRTJCZZQLOSX-IZZDOVSWSA-N
ST504438118R-0610{3-[(e)-1-(hydroxyimino)ethyl]-2,2-dimethyl-cyclobutyl}acetic acid2-(3-(1-(Hydroxyimino)ethyl)-2,2-dimethylcyclobutyl)aceticacid2-{3-[(1E)-1-(hydroxyimino)ethyl]-2,2-dimethylcyclobutyl}acetic acid
Database identifiers
- CAS
90978-91-9- PubChem CID
- 5458250
- ChEMBL
CHEMBL1982547- EC Number
- 654-202-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 38 reports by companies from 1 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
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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