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Home > Indoles and Oxindole > 184906-29-4
184906-29-4 | 1H-Isoindol-1-one, 2,3-dihydro-5-methoxy-3,3-dimethyl-
CAS No: 184906-29-4 Catalog No: AG01DY6R MDL No:MFCD24551427
Product Description
Catalog Number:
AG01DY6R
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-5-methoxy-3,3-dimethyl-
CAS Number:
184906-29-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD24551427
IUPAC Name:
5-methoxy-3,3-dimethyl-2H-isoindol-1-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)9-6-7(14-3)4-5-8(9)10(13)12-11/h4-6H,1-3H3,(H,12,13)
InChI Key:
ZLMBGBZUFNKJRJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)NC2=O
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:
1.3
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