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Home > Indoles and Oxindole > 67765-91-7
67765-91-7 | 1H-Indole, 3-(1-methylpropyl)-
CAS No: 67765-91-7 Catalog No: AG0063EO MDL No:
Product Description
Catalog Number:
AG0063EO
Chemical Name:
1H-Indole, 3-(1-methylpropyl)-
CAS Number:
67765-91-7
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
3-butan-2-yl-1H-indole
InChI:
InChI=1S/C12H15N/c1-3-9(2)11-8-13-12-7-5-4-6-10(11)12/h4-9,13H,3H2,1-2H3
InChI Key:
YRPBUSRPISWIQH-UHFFFAOYSA-N
SMILES:
CCC(c1c[nH]c2c1cccc2)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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