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824969-42-8 | Oxazole, 2-(1-methylethyl)-4,5-dipropoxy-
CAS No: 824969-42-8 Catalog No: AG004ZFG MDL No:
Product Description
Catalog Number:
AG004ZFG
Chemical Name:
Oxazole, 2-(1-methylethyl)-4,5-dipropoxy-
CAS Number:
824969-42-8
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
2-propan-2-yl-4,5-dipropoxy-1,3-oxazole
InChI:
InChI=1S/C12H21NO3/c1-5-7-14-11-12(15-8-6-2)16-10(13-11)9(3)4/h9H,5-8H2,1-4H3
InChI Key:
WFFAGXLSLPCTCK-UHFFFAOYSA-N
SMILES:
CCCOc1oc(nc1OCCC)C(C)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:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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