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76505-93-6 | 4-(3-hydroxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS No: 76505-93-6 Catalog No: AG005BLQ MDL No:
Product Description
Catalog Number:
AG005BLQ
Chemical Name:
4-(3-hydroxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS Number:
76505-93-6
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
4-[(3-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H11NO3/c18-13-8-4-5-11(9-13)10-14-16(19)20-15(17-14)12-6-2-1-3-7-12/h1-10,18H
InChI Key:
LCCCSMWIDMQSNH-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
435
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:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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