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122852-75-9 | 1H-Pyrido[4,3-b]indol-1-one, 2,3,4,5-tetrahydro-5-methyl-
CAS No: 122852-75-9 Catalog No: AG000JLQ MDL No:MFCD08458716
Product Description
Catalog Number:
AG000JLQ
Chemical Name:
1H-Pyrido[4,3-b]indol-1-one, 2,3,4,5-tetrahydro-5-methyl-
CAS Number:
122852-75-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD08458716
IUPAC Name:
5-methyl-3,4-dihydro-2H-pyrido[4,3-b]indol-1-one
InChI:
InChI=1S/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15)
InChI Key:
GLHMAFAXJJECMG-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c2c1CCNC2=O
EC Number:
602-898-5
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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