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Home > Indoles and Oxindole > 914927-40-5
914927-40-5 | 1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-
CAS No: 914927-40-5 Catalog No: AG00GTXX MDL No:MFCD22573300
Product Description
Catalog Number:
AG00GTXX
Chemical Name:
1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-
CAS Number:
914927-40-5
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD22573300
IUPAC Name:
3-(4-hydroxybutyl)-1H-indole-5-carbonitrile
InChI:
InChI=1S/C13H14N2O/c14-8-10-4-5-13-12(7-10)11(9-15-13)3-1-2-6-16/h4-5,7,9,15-16H,1-3,6H2
InChI Key:
BZXNEONCFZGWDS-UHFFFAOYSA-N
SMILES:
OCCCCc1c[nH]c2c1cc(cc2)C#N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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