Basic information
- CAS
125282-78-2- Standard SMILES
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1.OCC1CCC(CO)CC1- InChIKey
MYJYULUTBUWOGJ-UHFFFAOYSA-N- Molecular formula
- C23H26N2O4
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.18925731
Names & identifiers
- Preferred name
- (Cyclohexane-1,4-diyl)dimethanol--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
- IUPAC
- [4-(hydroxymethyl)cyclohexyl]methanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Names & synonyms
DTXSID80925065(Cyclohexane-1,4-diyl)dimethanol--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
Database identifiers
- CAS
125282-78-2- PubChem CID
- 44154152
- DTXSID
DTXSID80925065
Properties
Computed structural properties
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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