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Home > Indoles and Oxindole > 89204-75-1
89204-75-1 | 4H-Oxazolo[5,4-b]indole, 4-acetyl-2-(4-methoxyphenyl)-
CAS No: 89204-75-1 Catalog No: AG00446K MDL No:
Product Description
Catalog Number:
AG00446K
Chemical Name:
4H-Oxazolo[5,4-b]indole, 4-acetyl-2-(4-methoxyphenyl)-
CAS Number:
89204-75-1
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
1-[2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]indol-4-yl]ethanone
InChI:
InChI=1S/C18H14N2O3/c1-11(21)20-15-6-4-3-5-14(15)16-18(20)23-17(19-16)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3
InChI Key:
LHGSAZLBQSOFDH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(o1)n(c1c2cccc1)C(=O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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