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Home > Indoles and Oxindole > 2059970-39-5
2059970-39-5 | 3,3,7-trimethyl-3H-indole
CAS No: 2059970-39-5 Catalog No: AG01BP5D MDL No:MFCD30499886
Product Description
Catalog Number:
AG01BP5D
Chemical Name:
3,3,7-trimethyl-3H-indole
CAS Number:
2059970-39-5
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD30499886
IUPAC Name:
3,3,7-trimethylindole
InChI:
InChI=1S/C11H13N/c1-8-5-4-6-9-10(8)12-7-11(9,2)3/h4-7H,1-3H3
InChI Key:
NKMWTEMWPMFMII-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1N=CC2(C)C
Properties
Complexity:
205
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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