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77219-10-4 | Ethanone,1-(4,5-dihydro-2,4,4-trimethyl-5-oxazolyl)-
CAS No: 77219-10-4 Catalog No: AG00553X MDL No:
Product Description
Catalog Number:
AG00553X
Chemical Name:
Ethanone,1-(4,5-dihydro-2,4,4-trimethyl-5-oxazolyl)-
CAS Number:
77219-10-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
1-(2,4,4-trimethyl-5H-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C8H13NO2/c1-5(10)7-8(3,4)9-6(2)11-7/h7H,1-4H3
InChI Key:
UCQRYAAWBZPLGH-UHFFFAOYSA-N
SMILES:
CC(=O)C1OC(=NC1(C)C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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