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122383-29-3 | 2,5-Pyrrolidinedione, 1-[(1S)-2-hydroxy-1-phenylethyl]-
CAS No: 122383-29-3 Catalog No: AG00176O MDL No:
Product Description
Catalog Number:
AG00176O
Chemical Name:
2,5-Pyrrolidinedione, 1-[(1S)-2-hydroxy-1-phenylethyl]-
CAS Number:
122383-29-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
1-(2-hydroxy-1-phenylethyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H13NO3/c14-8-10(9-4-2-1-3-5-9)13-11(15)6-7-12(13)16/h1-5,10,14H,6-8H2
InChI Key:
ZLINDUHWXXJDAX-UHFFFAOYSA-N
SMILES:
OC[C@@H](N1C(=O)CCC1=O)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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