Completing data — usually done within a minute
Basic information
- CAS
25036-33-3- Standard SMILES
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1.OCCO- InChIKey
ZOUPQIZRXKCDRM-UHFFFAOYSA-N- Molecular formula
- C17H16N2O4
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.11100699
Names & identifiers
- Preferred name
- Ethane-1,2-diol-1,1'-methanediylbis(4-isocyanatobenzene)(1:1)
- IUPAC
- ethane-1,2-diol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Names & synonyms
25036-33-3ethane-1,2-diol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzeneethane-1,2-diol- 1,1'-methanediylbis(4-isocyanatobenzene)(1:1)orb1695628DTXSID00179745AKOS040753593T34109Ethane-1,2-diol--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
Database identifiers
- CAS
25036-33-3- PubChem CID
- 212830
- DTXSID
DTXSID00179745
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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