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Home > Indoles and Oxindole > 81502-42-3
81502-42-3 | 5(4H)-Oxazolone, 2-methyl-4-[(2-phenyl-1H-indol-3-yl)methylene]-
CAS No: 81502-42-3 Catalog No: AG00529S MDL No:
Product Description
Catalog Number:
AG00529S
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-[(2-phenyl-1H-indol-3-yl)methylene]-
CAS Number:
81502-42-3
Molecular Formula:
C19H14N2O2
Molecular Weight:
302.3267
IUPAC Name:
2-methyl-4-[(2-phenylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
InChI:
InChI=1S/C19H14N2O2/c1-12-20-17(19(22)23-12)11-15-14-9-5-6-10-16(14)21-18(15)13-7-3-2-4-8-13/h2-11,22H,1H3
InChI Key:
DWBYWYHUPDAIQD-UHFFFAOYSA-N
SMILES:
CC1=NC(=Cc2c([nH]c3c2cccc3)c2ccccc2)C(=O)O1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.333g/mol
Monoisotopic Mass:
302.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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