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68961-87-5 | Oxazole, 2-(4,7-dimethoxy-5-heptynyl)-5-ethoxy-4-methyl-
CAS No: 68961-87-5 Catalog No: AG006EYG MDL No:
Product Description
Catalog Number:
AG006EYG
Chemical Name:
Oxazole, 2-(4,7-dimethoxy-5-heptynyl)-5-ethoxy-4-methyl-
CAS Number:
68961-87-5
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
2-(4,7-dimethoxyhept-5-ynyl)-5-ethoxy-4-methyl-1,3-oxazole
InChI:
InChI=1S/C15H23NO4/c1-5-19-15-12(2)16-14(20-15)10-6-8-13(18-4)9-7-11-17-3/h13H,5-6,8,10-11H2,1-4H3
InChI Key:
SSSSOPPODQCUCR-UHFFFAOYSA-N
SMILES:
COCC#CC(CCCc1nc(c(o1)OCC)C)OC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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