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Home Other Building Blocks 1-Methylindolin-2-one

1-Methylindolin-2-one

CAS No.:
61-70-1
Catalog Number:
AG0032SU
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$113
- +
10g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG0032SU
Chemical Name:
1-Methylindolin-2-one
CAS Number:
61-70-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00030253
IUPAC Name:
1-methyl-3H-indol-2-one
InChI:
InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChI Key:
RSQUAQMIGSMNNE-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C)cccc2
UNII:
BKN6HNS2AW
NSC Number:
97219
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
5-Bromo-1-methyl-indolin-2-one. Acta crystallographica. Section E, Structure reports online 20090701
Toward prediction of alkane/water partition coefficients. Journal of medicinal chemistry 20080710
Rational determination of transfer free energies of small drugs across the water-oil interface. Journal of medicinal chemistry 20020103
Properties