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59669-71-5 | Isoxazole, 3-(1,1-dimethylethyl)-5-isocyanato- (9CI)
CAS No: 59669-71-5 Catalog No: AG00EZF1 MDL No:
Product Description
Catalog Number:
AG00EZF1
Chemical Name:
Isoxazole, 3-(1,1-dimethylethyl)-5-isocyanato- (9CI)
CAS Number:
59669-71-5
IUPAC Name:
3-tert-butyl-5-isocyanato-1,2-oxazole
InChI:
InChI=1S/C8H10N2O2/c1-8(2,3)6-4-7(9-5-11)12-10-6/h4H,1-3H3
InChI Key:
AHBATNRNNHRAAR-UHFFFAOYSA-N
Properties
Complexity:
204
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:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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