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1441-73-2 | Ethene, 1,2-diisocyanato-, (1E)-
CAS No: 1441-73-2 Catalog No: AG001IXB MDL No:
Product Description
Catalog Number:
AG001IXB
Chemical Name:
Ethene, 1,2-diisocyanato-, (1E)-
CAS Number:
1441-73-2
Molecular Formula:
C4H2N2O2
Molecular Weight:
110.0709
IUPAC Name:
1,2-diisocyanatoethene
InChI:
InChI=1S/C4H2N2O2/c7-3-5-1-2-6-4-8/h1-2H
InChI Key:
RXUVWJWQFPJWOV-UHFFFAOYSA-N
SMILES:
O=C=N/C=C/N=C=O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.012g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.072g/mol
Monoisotopic Mass:
110.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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