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205380-30-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(1R)-2-hydroxy-1-phenylethyl]-
CAS No: 205380-30-9 Catalog No: AG002A1U MDL No:
Product Description
Catalog Number:
AG002A1U
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1R)-2-hydroxy-1-phenylethyl]-
CAS Number:
205380-30-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-[(1R)-2-hydroxy-1-phenylethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H13NO3/c18-10-14(11-6-2-1-3-7-11)17-15(19)12-8-4-5-9-13(12)16(17)20/h1-9,14,18H,10H2/t14-/m0/s1
InChI Key:
BSVAAYHIMWHTMM-AWEZNQCLSA-N
SMILES:
OC[C@H](N1C(=O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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