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72128-82-6 | Ethanone,1-(4,5-dihydro-3-propyl-5-isoxazolyl)-
CAS No: 72128-82-6 Catalog No: AG005VWH MDL No:
Product Description
Catalog Number:
AG005VWH
Chemical Name:
Ethanone,1-(4,5-dihydro-3-propyl-5-isoxazolyl)-
CAS Number:
72128-82-6
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
1-(3-propyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
InChI:
InChI=1S/C8H13NO2/c1-3-4-7-5-8(6(2)10)11-9-7/h8H,3-5H2,1-2H3
InChI Key:
RJXMSTILFLDGCF-UHFFFAOYSA-N
SMILES:
CCCC1=NOC(C1)C(=O)C
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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