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128740-09-0 | Pyrrolo[3,4-b]pyrrole, octahydro-1-methyl-
CAS No: 128740-09-0 Catalog No: AG000YCA MDL No:MFCD09040644
Product Description
Catalog Number:
AG000YCA
Chemical Name:
Pyrrolo[3,4-b]pyrrole, octahydro-1-methyl-
CAS Number:
128740-09-0
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
MDL Number:
MFCD09040644
IUPAC Name:
1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
InChI:
InChI=1S/C7H14N2/c1-9-3-2-6-4-8-5-7(6)9/h6-8H,2-5H2,1H3
InChI Key:
PFZIWBWEHFZIMT-UHFFFAOYSA-N
SMILES:
CN1CCC2C1CNC2
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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