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82946-70-1 | Oxazole, 2-(3-butylphenyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 82946-70-1 Catalog No: AG005496 MDL No:
Product Description
Catalog Number:
AG005496
Chemical Name:
Oxazole, 2-(3-butylphenyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
82946-70-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
2-(3-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C15H21NO/c1-4-5-7-12-8-6-9-13(10-12)14-16-15(2,3)11-17-14/h6,8-10H,4-5,7,11H2,1-3H3
InChI Key:
QYQRBZMORGLTGD-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)C1=NC(CO1)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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