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26585-59-1

26585-59-1 | Cyclobutane, 1,2-bis(isocyanatomethyl)-

CAS No: 26585-59-1 Catalog No: AG002TRG MDL No:

Product Description

Catalog Number:
AG002TRG
Chemical Name:
Cyclobutane, 1,2-bis(isocyanatomethyl)-
CAS Number:
26585-59-1
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
1,2-bis(isocyanatomethyl)cyclobutane
InChI:
InChI=1S/C8H10N2O2/c11-5-9-3-7-1-2-8(7)4-10-6-12/h7-8H,1-4H2
InChI Key:
XSJFAAMNRIJDGN-UHFFFAOYSA-N
SMILES:
O=C=NCC1CCC1CN=C=O

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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