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Home > Indoles and Oxindole > 101112-61-2
101112-61-2 | 1H-Pyrido[3,4-b]indole, 2,9-diacetyl-2,3,4,9-tetrahydro- (6CI,9CI)
CAS No: 101112-61-2 Catalog No: AG0003S6 MDL No:
Product Description
Catalog Number:
AG0003S6
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,9-diacetyl-2,3,4,9-tetrahydro- (6CI,9CI)
CAS Number:
101112-61-2
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
1-(9-acetyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
InChI:
InChI=1S/C15H16N2O2/c1-10(18)16-8-7-13-12-5-3-4-6-14(12)17(11(2)19)15(13)9-16/h3-6H,7-9H2,1-2H3
InChI Key:
RASNIHKNEMNKIG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)n(C(=O)C)c1c2cccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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