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Home > Pyridines > 151213-44-4
151213-44-4 | 1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-, (4aS,7aR)-
CAS No: 151213-44-4 Catalog No: AG001N6R MDL No:
Product Description
Catalog Number:
AG001N6R
Chemical Name:
1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-, (4aS,7aR)-
CAS Number:
151213-44-4
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
(4aS,7aS)-4a-benzyl-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C14H16N2O2/c17-12-11-14(13(18)16-12,7-4-8-15-11)9-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,16,17,18)/t11-,14+/m1/s1
InChI Key:
JXPWASKRMQPFAV-RISCZKNCSA-N
SMILES:
O=C1N(Cc2ccccc2)C(=O)[C@@H]2[C@H]1NCCC2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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