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Home > Indoles and Oxindole > 379254-50-9
379254-50-9 | 1-(3-methylbutyl)-2,3-dihydro-1H-indole-2,3-dione
CAS No: 379254-50-9 Catalog No: AG019GT6 MDL No:MFCD03147258
Product Description
Catalog Number:
AG019GT6
Chemical Name:
1-(3-methylbutyl)-2,3-dihydro-1H-indole-2,3-dione
CAS Number:
379254-50-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD03147258
IUPAC Name:
1-(3-methylbutyl)indole-2,3-dione
InChI:
InChI=1S/C13H15NO2/c1-9(2)7-8-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6,9H,7-8H2,1-2H3
InChI Key:
IXZVZVSXNXWRBG-UHFFFAOYSA-N
SMILES:
CC(CCN1c2ccccc2C(=O)C1=O)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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