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13022-91-8 | 2,5-Pyrrolidinedione, 3-methylene-
CAS No: 13022-91-8 Catalog No: AG000U67 MDL No:MFCD20728274
Product Description
Catalog Number:
AG000U67
Chemical Name:
2,5-Pyrrolidinedione, 3-methylene-
CAS Number:
13022-91-8
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD20728274
IUPAC Name:
3-methylidenepyrrolidine-2,5-dione
InChI:
InChI=1S/C5H5NO2/c1-3-2-4(7)6-5(3)8/h1-2H2,(H,6,7,8)
InChI Key:
FKAWETHEYBZGSR-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C)C1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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