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Home > Indoles and Oxindole > 89718-65-0
89718-65-0 | 2H-Benz[g]indole, 3,3a,4,5-tetrahydro-2,2-dimethyl-, 1-oxide
CAS No: 89718-65-0 Catalog No: AG0042BG MDL No:
Product Description
Catalog Number:
AG0042BG
Chemical Name:
2H-Benz[g]indole, 3,3a,4,5-tetrahydro-2,2-dimethyl-, 1-oxide
CAS Number:
89718-65-0
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
2,2-dimethyl-1-oxido-3,3a,4,5-tetrahydrobenzo[g]indol-1-ium
InChI:
InChI=1S/C14H17NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15(14)16/h3-6,11H,7-9H2,1-2H3
InChI Key:
MBRPVPQUDLYGHY-UHFFFAOYSA-N
SMILES:
[O-][N+]1=C2C(CC1(C)C)CCc1c2cccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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