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125062-15-9 | Oxazole, dihydro(1-methylethenyl)-
CAS No: 125062-15-9 Catalog No: AG000N23 MDL No:
Product Description
Catalog Number:
AG000N23
Chemical Name:
Oxazole, dihydro(1-methylethenyl)-
CAS Number:
125062-15-9
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
2-prop-1-en-2-yl-2,3-dihydro-1,3-oxazole
InChI:
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h3-4,6-7H,1H2,2H3
InChI Key:
VEWHXOVRFRYMDZ-UHFFFAOYSA-N
SMILES:
CC(=C)C1NC=CO1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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