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128740-00-1 | Pyrrolo[3,4-b]-1,4-oxazine, octahydro-
CAS No: 128740-00-1 Catalog No: AG000YCC MDL No:MFCD18071717
Product Description
Catalog Number:
AG000YCC
Chemical Name:
Pyrrolo[3,4-b]-1,4-oxazine, octahydro-
CAS Number:
128740-00-1
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD18071717
IUPAC Name:
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine
InChI:
InChI=1S/C6H12N2O/c1-2-9-6-4-7-3-5(6)8-1/h5-8H,1-4H2
InChI Key:
UMIZTIYZNFUATK-UHFFFAOYSA-N
SMILES:
C1COC2C(N1)CNC2
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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