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Home > Indoles and Oxindole > 128857-19-2
128857-19-2 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-(2-oxiranylmethyl)-
CAS No: 128857-19-2 Catalog No: AG000YFS MDL No:
Product Description
Catalog Number:
AG000YFS
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-(2-oxiranylmethyl)-
CAS Number:
128857-19-2
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
2-(oxiran-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C14H16N2O/c1-2-4-13-11(3-1)12-5-6-16(7-10-9-17-10)8-14(12)15-13/h1-4,10,15H,5-9H2
InChI Key:
VHHOZFKVJZRORO-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c1c2CCN(C1)CC1CO1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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