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18184-75-3 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-
CAS No: 18184-75-3 Catalog No: AG00235T MDL No:MFCD02930145
Product Description
Catalog Number:
AG00235T
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-
CAS Number:
18184-75-3
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
MDL Number:
MFCD02930145
IUPAC Name:
6-benzylpyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:
DWUBVULEMQOCPO-UHFFFAOYSA-N
SMILES:
O=C1c2ncccc2C(=O)N1Cc1ccccc1
EC Number:
605-952-6
NSC Number:
151664
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 6-Benzyl-6,7-dihydro-5H-pyrrolo-[3,4-b]pyridine-5,7-dione. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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