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101246-24-6 | Isoxazole, 3-methyl-5-(2-methyl-1-propen-1-yl)-
CAS No: 101246-24-6 Catalog No: AG00041X MDL No:
Product Description
Catalog Number:
AG00041X
Chemical Name:
Isoxazole, 3-methyl-5-(2-methyl-1-propen-1-yl)-
CAS Number:
101246-24-6
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
IUPAC Name:
3-methyl-5-(2-methylprop-1-enyl)-1,2-oxazole
InChI:
InChI=1S/C8H11NO/c1-6(2)4-8-5-7(3)9-10-8/h4-5H,1-3H3
InChI Key:
NCBAUQNLXGYFCM-UHFFFAOYSA-N
SMILES:
CC(=Cc1onc(c1)C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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