Cyclododecanone O-(2-thienylcarbonyl)oxime
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Basic information
- CAS
253169-95-8- Standard SMILES
O=C(ON=C1CCCCCCCCCCC1)c1cccs1- InChIKey
HNPDKOCIWSFLJR-UHFFFAOYSA-N- Molecular formula
- C17H25NO2S
- Average molar mass
- 307.5 g/mol
- Monoisotopic mass
- 307.16060021
Names & identifiers
- Preferred name
- Cyclododecanone O-(2-thienylcarbonyl)oxime
- IUPAC
- (cyclododecylideneamino) thiophene-2-carboxylate
- English name
- 2-([(CYCLODODECYLIDENAMINO)OXY]CARBONYL)THIOPHENE
- Molecular formula
- C17H25NO2S
- Molecular weight
- 307.45
Names & synonyms
253169-95-8cyclododecanone O-(2-thienylcarbonyl)oximeRefChem:580300658-098-12-{[(cyclododecylidenamino)oxy]carbonyl}thiopheneCyclododecanone O-thiophene-2-carbonyl oxime(cyclododecylideneamino) thiophene-2-carboxylateAKOS005107126CCG-235996JS-0162CyclododecanoneO-thiophene-2-carbonyloximeST019037
Show more names
Cyclododecanone, O-(2-thienylcarbonyl)oxime2-([(CYCLODODECYLIDENAMINO)OXY]CARBONYL)THIOPHENEN-CYCLODODECYLIDEN-N-[(2-THIENYLCARBONYL)OXY]AMINE
cyclododecylideneamino thiophene-2-carboxylatecyclododecylideneazamethyl thiophene-2-carboxylateAA-768/31128062
Database identifiers
- CAS
253169-95-8- PubChem CID
- 2801799
- EC Number
- 658-098-1
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 430.9 · 430.9±37.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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