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503859-63-0 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-[(1S)-1-phenylethyl]-, (3R)-
CAS No: 503859-63-0 Catalog No: AG006U6C MDL No:
Product Description
Catalog Number:
AG006U6C
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-[(1S)-1-phenylethyl]-, (3R)-
CAS Number:
503859-63-0
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
(3R)-3-hydroxy-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO2/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(17)19/h2-11,15,18H,1H3/t11-,15+/m0/s1
InChI Key:
KMTCRDRWKJLWTR-XHDPSFHLSA-N
SMILES:
C[C@H](N1[C@H](O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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