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1021878-40-9 | Pyrrolo[3,4-b]pyrrol-6(1H)-one, hexahydro-, (3aR,6aR)-rel-
CAS No: 1021878-40-9 Catalog No: AG0006UF MDL No:MFCD13195257
Product Description
Catalog Number:
AG0006UF
Chemical Name:
Pyrrolo[3,4-b]pyrrol-6(1H)-one, hexahydro-, (3aR,6aR)-rel-
CAS Number:
1021878-40-9
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD13195257
IUPAC Name:
(3aS,6aS)-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-6-one
InChI:
InChI=1S/C6H10N2O/c9-6-5-4(3-8-6)1-2-7-5/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1
InChI Key:
OWUKCNLPZKSUSF-WHFBIAKZSA-N
SMILES:
O=C1NC[C@@H]2[C@H]1NCC2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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