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Home > Indoles and Oxindole > 864688-81-3
864688-81-3 | 2H-Indol-2-one,1,3-dihydro-5-(2-methyl-1-oxopropyl)-
CAS No: 864688-81-3 Catalog No: AG004WHY MDL No:
Product Description
Catalog Number:
AG004WHY
Chemical Name:
2H-Indol-2-one,1,3-dihydro-5-(2-methyl-1-oxopropyl)-
CAS Number:
864688-81-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
5-(2-methylpropanoyl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C12H13NO2/c1-7(2)12(15)8-3-4-10-9(5-8)6-11(14)13-10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
IQIDDBVUJUYFIK-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cc2)C(=O)C(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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