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121578-58-3 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[(1Z)-2-phenylethenyl]-
CAS No: 121578-58-3 Catalog No: AG0015AY MDL No:
Product Description
Catalog Number:
AG0015AY
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[(1Z)-2-phenylethenyl]-
CAS Number:
121578-58-3
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
4,4-dimethyl-2-(2-phenylethenyl)-5H-1,3-oxazole
InChI:
InChI=1S/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
IVCSIAZWAKWKDI-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)/C=C\c1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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