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683800-25-1 | 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2,4-dimethyl-
CAS No: 683800-25-1 Catalog No: AG005QON MDL No:
Product Description
Catalog Number:
AG005QON
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2,4-dimethyl-
CAS Number:
683800-25-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
2,4-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C13H14N2O/c1-8-7-15(2)13(16)12-11(8)9-5-3-4-6-10(9)14-12/h3-6,8,14H,7H2,1-2H3
InChI Key:
JEPDPAZHYWASKK-UHFFFAOYSA-N
SMILES:
CN1CC(C)c2c(C1=O)[nH]c1c2cccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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