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Home > Indoles and Oxindole > 97820-51-4
97820-51-4 | 5-(1-Methylethyl)-1H-indole
CAS No: 97820-51-4 Catalog No: AG005XPV MDL No:MFCD13177544
Product Description
Catalog Number:
AG005XPV
Chemical Name:
5-(1-Methylethyl)-1H-indole
CAS Number:
97820-51-4
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD13177544
IUPAC Name:
5-propan-2-yl-1H-indole
InChI:
InChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3
InChI Key:
LBVLQBYXKBTHJA-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cc[nH]2)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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