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729598-50-9 | 5,7-Dimethylindolin-2-one
CAS No: 729598-50-9 Catalog No: AG005YSK MDL No:MFCD09839320
Product Description
Catalog Number:
AG005YSK
Chemical Name:
5,7-Dimethylindolin-2-one
CAS Number:
729598-50-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09839320
IUPAC Name:
5,7-dimethyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C10H11NO/c1-6-3-7(2)10-8(4-6)5-9(12)11-10/h3-4H,5H2,1-2H3,(H,11,12)
InChI Key:
GGSRSTGKSSROFH-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)c(C)cc(c2)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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