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Home > Indoles and Oxindole > 66931-30-4
66931-30-4 | 7-METHOXY-3,3-DIMETHYLINDOLIN-2-ONE
CAS No: 66931-30-4 Catalog No: AG01BUHV MDL No:MFCD21985042
Product Description
Catalog Number:
AG01BUHV
Chemical Name:
7-METHOXY-3,3-DIMETHYLINDOLIN-2-ONE
CAS Number:
66931-30-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD21985042
IUPAC Name:
7-methoxy-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)7-5-4-6-8(14-3)9(7)12-10(11)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
BHIXTFSJENSHBP-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NC(=O)C2(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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