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Home > Indoles and Oxindole > 2092587-81-8
2092587-81-8 | 3-(3-hydroxybutyl)-1H-indole-5-carbonitrile
CAS No: 2092587-81-8 Catalog No: AG01BT18 MDL No:MFCD30727551
Product Description
Catalog Number:
AG01BT18
Chemical Name:
3-(3-hydroxybutyl)-1H-indole-5-carbonitrile
CAS Number:
2092587-81-8
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD30727551
IUPAC Name:
3-(3-hydroxybutyl)-1H-indole-5-carbonitrile
InChI:
InChI=1S/C13H14N2O/c1-9(16)2-4-11-8-15-13-5-3-10(7-14)6-12(11)13/h3,5-6,8-9,15-16H,2,4H2,1H3
InChI Key:
XMSKZCGBUVGJGF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(CCC(O)C)c[nH]2
Properties
Complexity:
283
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:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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