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Home > Indoles and Oxindole > 107864-79-9
107864-79-9 | 2H-Indol-2-one,1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-1-propyl-
CAS No: 107864-79-9 Catalog No: AG008488 MDL No:MFCD01817193
Product Description
Catalog Number:
AG008488
Chemical Name:
2H-Indol-2-one,1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-1-propyl-
CAS Number:
107864-79-9
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD01817193
IUPAC Name:
3-hydroxy-3-(2-oxopropyl)-1-propylindol-2-one
InChI:
InChI=1S/C14H17NO3/c1-3-8-15-12-7-5-4-6-11(12)14(18,13(15)17)9-10(2)16/h4-7,18H,3,8-9H2,1-2H3
InChI Key:
OOANHZQZDVVMAI-UHFFFAOYSA-N
SMILES:
CCCN1c2ccccc2C(C1=O)(O)CC(=O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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