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Home > Indoles and Oxindole > 87234-57-9
87234-57-9 | 2H-Indol-2-one, 1,3-dihydro-5-methoxy-3,3-dimethyl-
CAS No: 87234-57-9 Catalog No: AG00IEFS MDL No:MFCD03411383
Product Description
Catalog Number:
AG00IEFS
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-5-methoxy-3,3-dimethyl-
CAS Number:
87234-57-9
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD03411383
IUPAC Name:
5-methoxy-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)8-6-7(14-3)4-5-9(8)12-10(11)13/h4-6H,1-3H3,(H,12,13)
InChI Key:
QWHYSBHTCJIXPO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)C(=O)N2
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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