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71672-19-0 | 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-9-methyl-
CAS No: 71672-19-0 Catalog No: AG005G6O MDL No:
Product Description
Catalog Number:
AG005G6O
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-9-methyl-
CAS Number:
71672-19-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C12H12N2O/c1-14-10-5-3-2-4-8(10)9-6-7-13-12(15)11(9)14/h2-5H,6-7H2,1H3,(H,13,15)
InChI Key:
KRLMNDBEOGNHGR-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1n(C)c1c2cccc1
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:
1.6
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