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Home > Indoles and Oxindole > 64325-39-9
64325-39-9 | 1H-Indole, 1-(1,3-dioxo-5-phenyl-4-pentynyl)-2,3-dihydro-
CAS No: 64325-39-9 Catalog No: AG00H8MT MDL No:
Product Description
Catalog Number:
AG00H8MT
Chemical Name:
1H-Indole, 1-(1,3-dioxo-5-phenyl-4-pentynyl)-2,3-dihydro-
CAS Number:
64325-39-9
Molecular Formula:
C19H15NO2
Molecular Weight:
289.3279
IUPAC Name:
1-(2,3-dihydroindol-1-yl)-5-phenylpent-4-yne-1,3-dione
InChI:
InChI=1S/C19H15NO2/c21-17(11-10-15-6-2-1-3-7-15)14-19(22)20-13-12-16-8-4-5-9-18(16)20/h1-9H,12-14H2
InChI Key:
HBPBRDWPQZXYMF-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)N1CCc2c1cccc2)C#Cc1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.334g/mol
Monoisotopic Mass:
289.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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