Home Carboxys 5-methyl-3-(4-phenylphenyl)-1,2-oxazole-4-carboxylic acid

5-methyl-3-(4-phenylphenyl)-1,2-oxazole-4-carboxylic acid

CAS No.:
55278-63-2
Catalog Number:
AG01DWHT
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
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Product Description
Catalog Number:
AG01DWHT
Chemical Name:
5-methyl-3-(4-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CAS Number:
55278-63-2
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD07376090
IUPAC Name:
5-methyl-3-(4-phenylphenyl)-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C17H13NO3/c1-11-15(17(19)20)16(18-21-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChI Key:
UOGCGYJHEMXVGG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)onc1c1ccc(cc1)c1ccccc1
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties