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Home > Indoles and Oxindole > 2060043-67-4
2060043-67-4 | 3-(propan-2-yl)-2,3-dihydro-1H-indole-5-carbonitrile
CAS No: 2060043-67-4 Catalog No: AG01BP82 MDL No:MFCD30499953
Product Description
Catalog Number:
AG01BP82
Chemical Name:
3-(propan-2-yl)-2,3-dihydro-1H-indole-5-carbonitrile
CAS Number:
2060043-67-4
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD30499953
IUPAC Name:
3-propan-2-yl-2,3-dihydro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-8(2)11-7-14-12-4-3-9(6-13)5-10(11)12/h3-5,8,11,14H,7H2,1-2H3
InChI Key:
DKPNAOWQQBIVGJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(CN2)C(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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