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42282-67-7 | Spiro[cyclopentane-1,1'-[1H]pyrido[3,4-b]indole], 2',3',4',9'-tetrahydro-
CAS No: 42282-67-7 Catalog No: AG007312 MDL No:
Product Description
Catalog Number:
AG007312
Chemical Name:
Spiro[cyclopentane-1,1'-[1H]pyrido[3,4-b]indole], 2',3',4',9'-tetrahydro-
CAS Number:
42282-67-7
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
IUPAC Name:
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
InChI:
InChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-7-10-16-15(14(12)17-13)8-3-4-9-15/h1-2,5-6,16-17H,3-4,7-10H2
InChI Key:
APUPTIHJCFKKDK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c1c2CCNC21CCCC2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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