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77828-37-6 | 3-[(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-2-cyclohexen-1-one
CAS No: 77828-37-6 Catalog No: AG00GH09 MDL No:
Product Description
Catalog Number:
AG00GH09
Chemical Name:
3-[(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-2-cyclohexen-1-one
CAS Number:
77828-37-6
IUPAC Name:
3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C18H20N2O/c21-13-5-3-4-12(10-13)11-17-18-15(8-9-19-17)14-6-1-2-7-16(14)20-18/h1-2,6-7,10,17,19-20H,3-5,8-9,11H2
InChI Key:
CQGIVXJBSCQMMG-UHFFFAOYSA-N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.371g/mol
Monoisotopic Mass:
280.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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