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Home > Indoles and Oxindole > 149916-72-3
149916-72-3 | 2H-Indol-2-one, 3-(1-hexyn-1-yl)-1,3-dihydro-3-hydroxy-
CAS No: 149916-72-3 Catalog No: AG001M4M MDL No:
Product Description
Catalog Number:
AG001M4M
Chemical Name:
2H-Indol-2-one, 3-(1-hexyn-1-yl)-1,3-dihydro-3-hydroxy-
CAS Number:
149916-72-3
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
3-hex-1-ynyl-3-hydroxy-1H-indol-2-one
InChI:
InChI=1S/C14H15NO2/c1-2-3-4-7-10-14(17)11-8-5-6-9-12(11)15-13(14)16/h5-6,8-9,17H,2-4H2,1H3,(H,15,16)
InChI Key:
SHJPHFOZSJSLOA-UHFFFAOYSA-N
SMILES:
CCCCC#CC1(O)C(=O)Nc2c1cccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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