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87074-52-0 | Isoxazole, 3-butyl-5-(diethoxymethyl)-4,5-dihydro-
CAS No: 87074-52-0 Catalog No: AG008DLK MDL No:
Product Description
Catalog Number:
AG008DLK
Chemical Name:
Isoxazole, 3-butyl-5-(diethoxymethyl)-4,5-dihydro-
CAS Number:
87074-52-0
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
IUPAC Name:
3-butyl-5-(diethoxymethyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C12H23NO3/c1-4-7-8-10-9-11(16-13-10)12(14-5-2)15-6-3/h11-12H,4-9H2,1-3H3
InChI Key:
JGAJUEURJAWJPI-UHFFFAOYSA-N
SMILES:
CCCCC1=NOC(C1)C(OCC)OCC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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