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Home > Indoles and Oxindole > 651007-43-1
651007-43-1 | 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-(phenylmethyl)-3-(2-propynyl)-
CAS No: 651007-43-1 Catalog No: AG006SX7 MDL No:
Product Description
Catalog Number:
AG006SX7
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-(phenylmethyl)-3-(2-propynyl)-
CAS Number:
651007-43-1
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
1-benzyl-3-hydroxy-3-prop-2-ynylindol-2-one
InChI:
InChI=1S/C18H15NO2/c1-2-12-18(21)15-10-6-7-11-16(15)19(17(18)20)13-14-8-4-3-5-9-14/h1,3-11,21H,12-13H2
InChI Key:
ZVIVUYIULXFPAL-UHFFFAOYSA-N
SMILES:
C#CCC1(O)c2ccccc2N(C1=O)Cc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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