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131825-41-7 | Isoxazole, 4-isocyanato-3,5-dimethyl-
CAS No: 131825-41-7 Catalog No: AG000ZSU MDL No:MFCD00119910
Product Description
Catalog Number:
AG000ZSU
Chemical Name:
Isoxazole, 4-isocyanato-3,5-dimethyl-
CAS Number:
131825-41-7
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00119910
IUPAC Name:
4-isocyanato-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C6H6N2O2/c1-4-6(7-3-9)5(2)10-8-4/h1-2H3
InChI Key:
JJQYAGYVYNMYGE-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)noc1C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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