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116541-56-1 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-
CAS No: 116541-56-1 Catalog No: AG000CQY MDL No:
Product Description
Catalog Number:
AG000CQY
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-
CAS Number:
116541-56-1
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
4,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-5H-1,3-oxazole
InChI:
InChI=1S/C14H19NO4/c1-14(2)8-19-13(15-14)9-6-10(16-3)12(18-5)11(7-9)17-4/h6-7H,8H2,1-5H3
InChI Key:
KGBDUSZYCRLGHV-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=NC(CO1)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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