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20870-57-9 | 2H-Indol-2-one, 1,3-dihydro-3-(2-hydroxypropyl)-1-phenyl-3-(2-propen-1-yl)-
CAS No: 20870-57-9 Catalog No: AG002JUS MDL No:
Product Description
Catalog Number:
AG002JUS
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-(2-hydroxypropyl)-1-phenyl-3-(2-propen-1-yl)-
CAS Number:
20870-57-9
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
3-(2-hydroxypropyl)-1-phenyl-3-prop-2-enylindol-2-one
InChI:
InChI=1S/C20H21NO2/c1-3-13-20(14-15(2)22)17-11-7-8-12-18(17)21(19(20)23)16-9-5-4-6-10-16/h3-12,15,22H,1,13-14H2,2H3
InChI Key:
BBHXFCQKDKPQFH-UHFFFAOYSA-N
SMILES:
C=CCC1(CC(O)C)C(=O)N(c2c1cccc2)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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