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Home > Indoles and Oxindole > 1381944-83-7
1381944-83-7 | 1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-5-methoxy-
CAS No: 1381944-83-7 Catalog No: AG00187E MDL No:MFCD22375029
Product Description
Catalog Number:
AG00187E
Chemical Name:
1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-5-methoxy-
CAS Number:
1381944-83-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD22375029
IUPAC Name:
2-tert-butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)14-11(15)9-6-5-8(17-4)7-10(9)12(14)16/h5-7,12,16H,1-4H3
InChI Key:
WRNVOUMBZIWSLR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(O)N(C2=O)C(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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