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18735-78-9 | diphenyl-1,3-oxazole-4-carboxylic acid
CAS No: 18735-78-9 Catalog No: AG01AGY2 MDL No:MFCD09812894
Product Description
Catalog Number:
AG01AGY2
Chemical Name:
diphenyl-1,3-oxazole-4-carboxylic acid
CAS Number:
18735-78-9
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
MDL Number:
MFCD09812894
IUPAC Name:
2,5-diphenyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C16H11NO3/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChI Key:
YKZSHSBBYKLXNM-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(oc1c1ccccc1)c1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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