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16101-11-4 | 1H-Pyrido[4,3-b]carbazole, 2,3,4,6-tetrahydro-9-methoxy-1,2,5-trimethyl-, (+)-
CAS No: 16101-11-4 Catalog No: AG001VLH MDL No:
Product Description
Catalog Number:
AG001VLH
Chemical Name:
1H-Pyrido[4,3-b]carbazole, 2,3,4,6-tetrahydro-9-methoxy-1,2,5-trimethyl-, (+)-
CAS Number:
16101-11-4
Molecular Formula:
C19H22N2O
Molecular Weight:
294.3908
IUPAC Name:
9-methoxy-1,2,5-trimethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
InChI:
InChI=1S/C19H22N2O/c1-11-14-7-8-21(3)12(2)15(14)10-17-16-9-13(22-4)5-6-18(16)20-19(11)17/h5-6,9-10,12,20H,7-8H2,1-4H3
InChI Key:
REYSQEYAZQBOCP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1cc3C(C)N(C)CCc3c(c1[nH]2)C
EC Number:
240-266-7
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.398g/mol
Monoisotopic Mass:
294.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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