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Home > Indoles and Oxindole > 1946799-48-9
1946799-48-9 | 5-butyl-1H-indole
CAS No: 1946799-48-9 Catalog No: AG01CACZ MDL No:MFCD31559830
Product Description
Catalog Number:
AG01CACZ
Chemical Name:
5-butyl-1H-indole
CAS Number:
1946799-48-9
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD31559830
IUPAC Name:
5-butyl-1H-indole
InChI:
InChI=1S/C12H15N/c1-2-3-4-10-5-6-12-11(9-10)7-8-13-12/h5-9,13H,2-4H2,1H3
InChI Key:
STXMJHGFWZIZBO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)cc[nH]2
Properties
Complexity:
155
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:
3
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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