Basic information
- CAS
14132-45-7- Standard SMILES
COC(=O)C1CCC1(C#N)C(=O)OC- InChIKey
GUYYKGJNXQNTDR-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- Dimethyl 1-cyano-1,2-cyclobutanedicarboxylate
- IUPAC
- dimethyl 1-cyanocyclobutane-1,2-dicarboxylate
Names & synonyms
14132-45-7Dimethyl 1-cyano-1,2-cyclobutanedicarboxylateDTXSID20301521RefChem:338444DTXCID70252655dimethyl 1-cyanocyclobutane-1,2-dicarboxylate1,2-DIMETHYL 1-CYANOCYCLOBUTANE-1,2-DICARBOXYLATE1,2-Cyclobutanedicarboxylic acid, 1-cyano-, 1,2-dimethyl esterNSC143967PAA13245AKOS026729073AT20184
Show more names
NSC-143967EN300-1550831,2-DIMETHYL1-CYANOCYCLOBUTANE-1,2-DICARBOXYLATE
Database identifiers
- CAS
14132-45-7- PubChem CID
- 286134
- DTXSID
DTXSID20301521- EC Number
- 994-559-6
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 316
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…