Home Other Building Blocks 3-isocyanatooxane

3-isocyanatooxane

CAS No.:
1343929-58-7
Catalog Number:
AG019YS9
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG019YS9
Chemical Name:
3-isocyanatooxane
CAS Number:
1343929-58-7
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD17275097
IUPAC Name:
3-isocyanatooxane
InChI:
InChI=1S/C6H9NO2/c8-5-7-6-2-1-3-9-4-6/h6H,1-4H2
InChI Key:
KHUIMQZKRMLYML-UHFFFAOYSA-N
SMILES:
O=C=NC1CCCOC1
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties