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88332-14-3 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-butyl-4a,7a-dihydro-, cis-
CAS No: 88332-14-3 Catalog No: AG0047XO MDL No:
Product Description
Catalog Number:
AG0047XO
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-butyl-4a,7a-dihydro-, cis-
CAS Number:
88332-14-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
(4aS,7aR)-6-butyl-4a,7a-dihydropyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C11H14N2O2/c1-2-3-7-13-10(14)8-5-4-6-12-9(8)11(13)15/h4-6,8-9H,2-3,7H2,1H3/t8-,9+/m0/s1
InChI Key:
PFSDUXFJDBAOJZ-DTWKUNHWSA-N
SMILES:
CCCCN1C(=O)[C@@H]2[C@H](C1=O)N=CC=C2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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