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113727-89-2 | 1H-Pyrrolizine-3,6(2H,5H)-dione
CAS No: 113727-89-2 Catalog No: AG0009HD MDL No:MFCD12964640
Product Description
Catalog Number:
AG0009HD
Chemical Name:
1H-Pyrrolizine-3,6(2H,5H)-dione
CAS Number:
113727-89-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD12964640
IUPAC Name:
6,7-dihydro-3H-pyrrolizine-2,5-dione
InChI:
InChI=1S/C7H7NO2/c9-6-3-5-1-2-7(10)8(5)4-6/h3H,1-2,4H2
InChI Key:
STLQRIMYIBADDO-UHFFFAOYSA-N
SMILES:
O=C1CN2C(=C1)CCC2=O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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