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87730-42-5 | 2,5-Pyrrolidinedione, 1-(2-hydroxypropyl)-
CAS No: 87730-42-5 Catalog No: AG004GAQ MDL No:MFCD14587865
Product Description
Catalog Number:
AG004GAQ
Chemical Name:
2,5-Pyrrolidinedione, 1-(2-hydroxypropyl)-
CAS Number:
87730-42-5
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD14587865
IUPAC Name:
1-(2-hydroxypropyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C7H11NO3/c1-5(9)4-8-6(10)2-3-7(8)11/h5,9H,2-4H2,1H3
InChI Key:
ZUNDVBLFQBMTKV-UHFFFAOYSA-N
SMILES:
CC(CN1C(=O)CCC1=O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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