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Home > Indoles and Oxindole > 42951-35-9
42951-35-9 | 1H-Indole, 1-butyl-2-methyl-
CAS No: 42951-35-9 Catalog No: AG00I89Z MDL No:MFCD04972048
Product Description
Catalog Number:
AG00I89Z
Chemical Name:
1H-Indole, 1-butyl-2-methyl-
CAS Number:
42951-35-9
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD04972048
IUPAC Name:
1-butyl-2-methylindole
InChI:
InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
OPAHUBUOHKIOOL-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)cc2c1cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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