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88476-77-1 | 9H-Pyrido[3,4-b]indolium, 7-methoxy-1,2,9-trimethyl-
CAS No: 88476-77-1 Catalog No: AG004AFU MDL No:
Product Description
Catalog Number:
AG004AFU
Chemical Name:
9H-Pyrido[3,4-b]indolium, 7-methoxy-1,2,9-trimethyl-
CAS Number:
88476-77-1
Molecular Formula:
C15H17N2O+
Molecular Weight:
241.3083
IUPAC Name:
7-methoxy-1,2,9-trimethylpyrido[3,4-b]indol-2-ium
InChI:
InChI=1S/C15H17N2O/c1-10-15-13(7-8-16(10)2)12-6-5-11(18-4)9-14(12)17(15)3/h5-9H,1-4H3/q+1
InChI Key:
SEWCOMFVOAMVCN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)c1c2cc[n+](c1C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.134g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.314g/mol
Monoisotopic Mass:
241.134g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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