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618910-07-9 | 8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CAS No: 618910-07-9 Catalog No: AG00J5Q6 MDL No:MFCD06662248
Product Description
Catalog Number:
AG00J5Q6
Chemical Name:
8-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CAS Number:
618910-07-9
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD06662248
IUPAC Name:
8-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
InChI:
InChI=1S/C13H16N2O/c1-15-12-4-3-9(16-2)7-10(12)11-8-14-6-5-13(11)15/h3-4,7,14H,5-6,8H2,1-2H3
InChI Key:
MCBYMISJQYDUKV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1CNCCc1n2C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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