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Home Other Building Blocks 3,3-Dimethylindolin-2-one

3,3-Dimethylindolin-2-one

CAS No.:
19155-24-9
Catalog Number:
AG002FBY
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$115
- +
5g
98%
In Stock USA
United States
$375
- +
10g
98%
In Stock USA
United States
$600
- +
25g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG002FBY
Chemical Name:
3,3-Dimethylindolin-2-one
CAS Number:
19155-24-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00158549
IUPAC Name:
3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C10H11NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)
InChI Key:
KEZHRKOVLKUYCQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)cccc2
NSC Number:
226200
Properties
Complexity:
210  
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:
1.7  
Literature
Title Journal
Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Bioorganic & medicinal chemistry letters 20110101
Properties