1,2-Diisocyanatopropane
Basic information
- CAS
999-08-6- Standard SMILES
CC(CN=C=O)N=C=O- InChIKey
ZGDSDWSIFQBAJS-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.04292744
Names & identifiers
- Preferred name
- 1,2-Diisocyanatopropane
- IUPAC
- 1,2-diisocyanatopropane
Names & synonyms
1,2-diisocyanatopropane999-08-6RefChem:216022SCHEMBL44073DTXSID301313665
Database identifiers
- CAS
999-08-6- PubChem CID
- 17801152
- DTXSID
DTXSID301313665- Nikkaji
- J766.551B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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