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Home > Indoles and Oxindole > 119971-18-5
119971-18-5 | 1H-Isoindole-1,3(2H)-dione, 2-[(1R,4S)-4-hydroxy-2-cyclopenten-1-yl]-
CAS No: 119971-18-5 Catalog No: AG000PWV MDL No:
Product Description
Catalog Number:
AG000PWV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1R,4S)-4-hydroxy-2-cyclopenten-1-yl]-
CAS Number:
119971-18-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]isoindole-1,3-dione
InChI:
InChI=1S/C13H11NO3/c15-9-6-5-8(7-9)14-12(16)10-3-1-2-4-11(10)13(14)17/h1-6,8-9,15H,7H2/t8-,9+/m0/s1
InChI Key:
SGNAEPPAMNUJSN-DTWKUNHWSA-N
SMILES:
O[C@@H]1C=C[C@@H](C1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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