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89724-20-9 | 4-Oxazolecarboxylic acid, 5-(1-methylethyl)-2-(2-phenylethenyl)-
CAS No: 89724-20-9 Catalog No: AG0042CS MDL No:
Product Description
Catalog Number:
AG0042CS
Chemical Name:
4-Oxazolecarboxylic acid, 5-(1-methylethyl)-2-(2-phenylethenyl)-
CAS Number:
89724-20-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
2-(2-phenylethenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C15H15NO3/c1-10(2)14-13(15(17)18)16-12(19-14)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
InChI Key:
MYFKNRDDYPVGFB-UHFFFAOYSA-N
SMILES:
CC(c1oc(nc1C(=O)O)C=Cc1ccccc1)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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