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Home > Indoles and Oxindole > 1368546-42-2
1368546-42-2 | 7-METHYL-3-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOLE
CAS No: 1368546-42-2 Catalog No: AG01BP5P MDL No:MFCD21876992
Product Description
Catalog Number:
AG01BP5P
Chemical Name:
7-METHYL-3-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOLE
CAS Number:
1368546-42-2
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD21876992
IUPAC Name:
7-methyl-3-propan-2-yl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H17N/c1-8(2)11-7-13-12-9(3)5-4-6-10(11)12/h4-6,8,11,13H,7H2,1-3H3
InChI Key:
YDEYRZGFFOWVKK-UHFFFAOYSA-N
SMILES:
CC(C1CNc2c1cccc2C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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