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112906-00-0 | 2H-Indol-2-one, 3-butyl-1,3-dihydro-3-hydroxy-
CAS No: 112906-00-0 Catalog No: AG0081OZ MDL No:
Product Description
Catalog Number:
AG0081OZ
Chemical Name:
2H-Indol-2-one, 3-butyl-1,3-dihydro-3-hydroxy-
CAS Number:
112906-00-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
3-butyl-3-hydroxy-1H-indol-2-one
InChI:
InChI=1S/C12H15NO2/c1-2-3-8-12(15)9-6-4-5-7-10(9)13-11(12)14/h4-7,15H,2-3,8H2,1H3,(H,13,14)
InChI Key:
HDBHPVVUJVCFMG-UHFFFAOYSA-N
SMILES:
CCCCC1(O)C(=O)Nc2c1cccc2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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