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89393-50-0 | Oxazole, 2-(1,3-cyclohexadien-5-yn-1-yl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89393-50-0 Catalog No: AG003WJS MDL No:
Product Description
Catalog Number:
AG003WJS
Chemical Name:
Oxazole, 2-(1,3-cyclohexadien-5-yn-1-yl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89393-50-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-cyclohexa-1,3-dien-5-yn-1-yl-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C11H11NO/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-4,6H,8H2,1-2H3
InChI Key:
KZOIIHSEUMMPTK-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)C1=CC=CC#C1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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