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Home > Indoles and Oxindole > 820964-09-8
820964-09-8 | 1H,3H-Oxazolo[3,4-a]indol-1-one, 3-(4-methylphenyl)-
CAS No: 820964-09-8 Catalog No: AG0052JU MDL No:
Product Description
Catalog Number:
AG0052JU
Chemical Name:
1H,3H-Oxazolo[3,4-a]indol-1-one, 3-(4-methylphenyl)-
CAS Number:
820964-09-8
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
1-(4-methylphenyl)-1H-[1,3]oxazolo[3,4-a]indol-3-one
InChI:
InChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16-18-14-5-3-2-4-13(14)10-15(18)17(19)20-16/h2-10,16H,1H3
InChI Key:
RKHDZVBWNLGANH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1OC(=O)c2n1c1ccccc1c2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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