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1606-52-6 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methylethenyl)-
CAS No: 1606-52-6 Catalog No: AG001S2D MDL No:
Product Description
Catalog Number:
AG001S2D
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methylethenyl)-
CAS Number:
1606-52-6
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
4,4-dimethyl-2-prop-1-en-2-yl-5H-1,3-oxazole
InChI:
InChI=1S/C8H13NO/c1-6(2)7-9-8(3,4)5-10-7/h1,5H2,2-4H3
InChI Key:
UZAAWTQDNCMMEX-UHFFFAOYSA-N
SMILES:
CC(=C)C1=NC(CO1)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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