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Home > Indoles and Oxindole > 151140-75-9
151140-75-9 | 1H-Indole-5-carbonitrile, 3-(3-hydroxypropyl)-
CAS No: 151140-75-9 Catalog No: AG001N4J MDL No:
Product Description
Catalog Number:
AG001N4J
Chemical Name:
1H-Indole-5-carbonitrile, 3-(3-hydroxypropyl)-
CAS Number:
151140-75-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
3-(3-hydroxypropyl)-1H-indole-5-carbonitrile
InChI:
InChI=1S/C12H12N2O/c13-7-9-3-4-12-11(6-9)10(8-14-12)2-1-5-15/h3-4,6,8,14-15H,1-2,5H2
InChI Key:
BNJIQKRKVNMILJ-UHFFFAOYSA-N
SMILES:
OCCCc1c[nH]c2c1cc(C#N)cc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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