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Home > Indoles and Oxindole > 102913-26-8
102913-26-8 | 5(4H)-Oxazolone, 4-(1H-indol-3-ylmethylene)-2-phenyl-, (Z)-
CAS No: 102913-26-8 Catalog No: AG00H9VQ MDL No:MFCD00407974
Product Description
Catalog Number:
AG00H9VQ
Chemical Name:
5(4H)-Oxazolone, 4-(1H-indol-3-ylmethylene)-2-phenyl-, (Z)-
CAS Number:
102913-26-8
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
MDL Number:
MFCD00407974
IUPAC Name:
4-(indol-3-ylidenemethyl)-2-phenyl-1,3-oxazol-5-ol
InChI:
InChI=1S/C18H12N2O2/c21-18-16(20-17(22-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,21H
InChI Key:
ZTKMQAKQDWNBLA-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C\c1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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