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Home > Indoles and Oxindole > 149916-73-4
149916-73-4 | 2H-Indol-2-one, 3-(1-hexyn-1-yl)-1,3-dihydro-3-hydroxy-1-methyl-
CAS No: 149916-73-4 Catalog No: AG001M4L MDL No:
Product Description
Catalog Number:
AG001M4L
Chemical Name:
2H-Indol-2-one, 3-(1-hexyn-1-yl)-1,3-dihydro-3-hydroxy-1-methyl-
CAS Number:
149916-73-4
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
3-hex-1-ynyl-3-hydroxy-1-methylindol-2-one
InChI:
InChI=1S/C15H17NO2/c1-3-4-5-8-11-15(18)12-9-6-7-10-13(12)16(2)14(15)17/h6-7,9-10,18H,3-5H2,1-2H3
InChI Key:
MMVRJMDLPUVFCS-UHFFFAOYSA-N
SMILES:
CCCCC#CC1(O)c2ccccc2N(C1=O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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