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65032-78-2 | 1H-Indole-2-acetonitrile, 3-acetyl-
CAS No: 65032-78-2 Catalog No: AG00H6AY MDL No:
Product Description
Catalog Number:
AG00H6AY
Chemical Name:
1H-Indole-2-acetonitrile, 3-acetyl-
CAS Number:
65032-78-2
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
2-(3-acetyl-1H-indol-2-yl)acetonitrile
InChI:
InChI=1S/C12H10N2O/c1-8(15)12-9-4-2-3-5-10(9)14-11(12)6-7-13/h2-5,14H,6H2,1H3
InChI Key:
YRYMPRYDPCHFTE-UHFFFAOYSA-N
SMILES:
N#CCc1[nH]c2c(c1C(=O)C)cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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