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20870-64-8 | 2H-Indol-2-one, 1,3-dihydro-3,3-bis(2-hydroxypropyl)-1-phenyl-
CAS No: 20870-64-8 Catalog No: AG002JUR MDL No:
Product Description
Catalog Number:
AG002JUR
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3,3-bis(2-hydroxypropyl)-1-phenyl-
CAS Number:
20870-64-8
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
3,3-bis(2-hydroxypropyl)-1-phenylindol-2-one
InChI:
InChI=1S/C20H23NO3/c1-14(22)12-20(13-15(2)23)17-10-6-7-11-18(17)21(19(20)24)16-8-4-3-5-9-16/h3-11,14-15,22-23H,12-13H2,1-2H3
InChI Key:
ANXFYQLOZMIJFZ-UHFFFAOYSA-N
SMILES:
CC(CC1(CC(O)C)C(=O)N(c2c1cccc2)c1ccccc1)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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