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86732-32-3 | 2-Benzyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione
CAS No: 86732-32-3 Catalog No: AG003GLL MDL No:MFCD09037855
Product Description
Catalog Number:
AG003GLL
Chemical Name:
2-Benzyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione
CAS Number:
86732-32-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD09037855
IUPAC Name:
5-benzyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
InChI:
InChI=1S/C13H14N2O2/c16-12-10-6-14-7-11(10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2
InChI Key:
LASIKWRVUBLQPO-UHFFFAOYSA-N
SMILES:
O=C1C2CNCC2C(=O)N1Cc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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