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Home > Indoles and Oxindole > 948551-98-2
948551-98-2 | 1'-Benzyl-5'-Ethoxy-4-Hydroxyspiro[Cyclohexane-1,3'-Indolin]-2'-One
CAS No: 948551-98-2 Catalog No: AG01DFON MDL No:MFCD09833656
Product Description
Catalog Number:
AG01DFON
Chemical Name:
1'-Benzyl-5'-Ethoxy-4-Hydroxyspiro[Cyclohexane-1,3'-Indolin]-2'-One
CAS Number:
948551-98-2
Molecular Formula:
C22H25NO3
Molecular Weight:
351.4388
MDL Number:
MFCD09833656
IUPAC Name:
1'-benzyl-5'-ethoxy-4-hydroxyspiro[cyclohexane-1,3'-indole]-2'-one
InChI:
InChI=1S/C22H25NO3/c1-2-26-18-8-9-20-19(14-18)22(12-10-17(24)11-13-22)21(25)23(20)15-16-6-4-3-5-7-16/h3-9,14,17,24H,2,10-13,15H2,1H3
InChI Key:
JEUYNFRWXAUFNC-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)C1(CCC(CC1)O)C(=O)N2Cc1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.446g/mol
Monoisotopic Mass:
351.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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