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Home > Indoles and Oxindole > 855401-44-4
855401-44-4 | 1H,3H,4H-[1,4]oxazino[4,3-a]indole-1,3-dione
CAS No: 855401-44-4 Catalog No: AG01BRY4 MDL No:MFCD30535953
Product Description
Catalog Number:
AG01BRY4
Chemical Name:
1H,3H,4H-[1,4]oxazino[4,3-a]indole-1,3-dione
CAS Number:
855401-44-4
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
MDL Number:
MFCD30535953
IUPAC Name:
4H-[1,4]oxazino[4,3-a]indole-1,3-dione
InChI:
InChI=1S/C11H7NO3/c13-10-6-12-8-4-2-1-3-7(8)5-9(12)11(14)15-10/h1-5H,6H2
InChI Key:
QBBPNPLZOCHBSW-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2n(C1)c1ccccc1c2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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