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683800-24-0 | 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2,4,9-trimethyl-
CAS No: 683800-24-0 Catalog No: AG005QOO MDL No:
Product Description
Catalog Number:
AG005QOO
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2,4,9-trimethyl-
CAS Number:
683800-24-0
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
2,4,9-trimethyl-3,4-dihydropyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C14H16N2O/c1-9-8-15(2)14(17)13-12(9)10-6-4-5-7-11(10)16(13)3/h4-7,9H,8H2,1-3H3
InChI Key:
LBVBKBFGOZARGP-UHFFFAOYSA-N
SMILES:
O=C1N(C)CC(c2c1n(C)c1c2cccc1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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