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122383-30-6 | 2,5-Pyrrolidinedione, 1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-
CAS No: 122383-30-6 Catalog No: AG00176N MDL No:
Product Description
Catalog Number:
AG00176N
Chemical Name:
2,5-Pyrrolidinedione, 1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-
CAS Number:
122383-30-6
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C9H15NO3/c1-6(2)7(5-11)10-8(12)3-4-9(10)13/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1
InChI Key:
XLYKDNOTDMGWRA-SSDOTTSWSA-N
SMILES:
OC[C@@H](N1C(=O)CCC1=O)C(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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