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Home > Indoles and Oxindole > 206977-00-6
206977-00-6 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-[(4-methoxyphenyl)methyl]-
CAS No: 206977-00-6 Catalog No: AG002IRE MDL No:
Product Description
Catalog Number:
AG002IRE
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-[(4-methoxyphenyl)methyl]-
CAS Number:
206977-00-6
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
3-hydroxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9,15,18H,10H2,1H3
InChI Key:
KHGQRTLSLKXGNJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C(O)c2c(C1=O)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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