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88309-30-2 | Ethanone, 1-(4,5-dihydro-4,4-dimethyl-2-propyl-5-oxazolyl)-
CAS No: 88309-30-2 Catalog No: AG004868 MDL No:
Product Description
Catalog Number:
AG004868
Chemical Name:
Ethanone, 1-(4,5-dihydro-4,4-dimethyl-2-propyl-5-oxazolyl)-
CAS Number:
88309-30-2
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
1-(4,4-dimethyl-2-propyl-5H-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C10H17NO2/c1-5-6-8-11-10(3,4)9(13-8)7(2)12/h9H,5-6H2,1-4H3
InChI Key:
KLOWROPCWUKDDB-UHFFFAOYSA-N
SMILES:
CCCC1=NC(C(O1)C(=O)C)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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