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138535-91-8 | Oxazole, 4-butyl-4,5-dihydro-2,4-dimethyl-, (S)- (9CI)
CAS No: 138535-91-8 Catalog No: AG0019DT MDL No:
Product Description
Catalog Number:
AG0019DT
Chemical Name:
Oxazole, 4-butyl-4,5-dihydro-2,4-dimethyl-, (S)- (9CI)
CAS Number:
138535-91-8
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
4-butyl-2,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C9H17NO/c1-4-5-6-9(3)7-11-8(2)10-9/h4-7H2,1-3H3
InChI Key:
XNBBDCMEKKASNI-UHFFFAOYSA-N
SMILES:
CCCC[C@@]1(C)COC(=N1)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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