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38027-53-1 | 3-Isoxazolecarbonylisocyanate(9CI)
CAS No: 38027-53-1 Catalog No: AG00CZ3W MDL No:
Product Description
Catalog Number:
AG00CZ3W
Chemical Name:
3-Isoxazolecarbonylisocyanate(9CI)
CAS Number:
38027-53-1
IUPAC Name:
1,2-oxazole-3-carbonyl isocyanate
InChI:
InChI=1S/C5H2N2O3/c8-3-6-5(9)4-1-2-10-7-4/h1-2H
InChI Key:
SMPLHZTVTZAEII-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.007g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.082g/mol
Monoisotopic Mass:
138.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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