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Home > Indoles and Oxindole > 149916-74-5
149916-74-5 | 2H-Indol-2-one, 3-(1-hexyn-1-yl)-1,3-dihydro-3-hydroxy-5-nitro-
CAS No: 149916-74-5 Catalog No: AG001M4K MDL No:
Product Description
Catalog Number:
AG001M4K
Chemical Name:
2H-Indol-2-one, 3-(1-hexyn-1-yl)-1,3-dihydro-3-hydroxy-5-nitro-
CAS Number:
149916-74-5
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
3-hex-1-ynyl-3-hydroxy-5-nitro-1H-indol-2-one
InChI:
InChI=1S/C14H14N2O4/c1-2-3-4-5-8-14(18)11-9-10(16(19)20)6-7-12(11)15-13(14)17/h6-7,9,18H,2-4H2,1H3,(H,15,17)
InChI Key:
XTBVUYWNYGORBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2C(O)(C#CCCCC)C(=O)Nc2cc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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