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Home > Indoles and Oxindole > 95334-47-7
95334-47-7 | 1H-Indole-2-carbonitrile, octahydro-1-methoxy-2-methyl-
CAS No: 95334-47-7 Catalog No: AG005S55 MDL No:
Product Description
Catalog Number:
AG005S55
Chemical Name:
1H-Indole-2-carbonitrile, octahydro-1-methoxy-2-methyl-
CAS Number:
95334-47-7
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
IUPAC Name:
1-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carbonitrile
InChI:
InChI=1S/C11H18N2O/c1-11(8-12)7-9-5-3-4-6-10(9)13(11)14-2/h9-10H,3-7H2,1-2H3
InChI Key:
MGBRVJHCRDOMFP-UHFFFAOYSA-N
SMILES:
CON1C2CCCCC2CC1(C)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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