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1076198-93-0 | 6-Benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H);-dione
CAS No: 1076198-93-0 Catalog No: AG003N38 MDL No:MFCD09907821
Product Description
Catalog Number:
AG003N38
Chemical Name:
6-Benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H);-dione
CAS Number:
1076198-93-0
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD09907821
IUPAC Name:
6-benzyl-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C14H14N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2
InChI Key:
JJFNYKMZELJLBL-UHFFFAOYSA-N
SMILES:
O=C1C2=C(C(=O)N1Cc1ccccc1)CCCN2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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