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103344-22-5 | 2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamide
CAS No: 103344-22-5 Catalog No: AG01DNUS MDL No:MFCD00170897
Product Description
Catalog Number:
AG01DNUS
Chemical Name:
2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamide
CAS Number:
103344-22-5
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD00170897
IUPAC Name:
2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamide
InChI:
InChI=1S/C13H13N3O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-6,8H2,(H,15,17)
InChI Key:
JKKUAODPKMDWHF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NCCc1c[nH]c2c1cccc2
NSC Number:
674635
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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