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1383427-89-1 | Pyrazino[2,1-c][1,4]oxazin-4(3H)-one, hexahydro-, hydrochloride (1:1), (9aR)-
CAS No: 1383427-89-1 Catalog No: AG0018L1 MDL No:MFCD22581547
Product Description
Catalog Number:
AG0018L1
Chemical Name:
Pyrazino[2,1-c][1,4]oxazin-4(3H)-one, hexahydro-, hydrochloride (1:1), (9aR)-
CAS Number:
1383427-89-1
Molecular Formula:
C7H13ClN2O2
Molecular Weight:
192.6433
MDL Number:
MFCD22581547
IUPAC Name:
(9aR)-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one;hydrochloride
InChI:
InChI=1S/C7H12N2O2.ClH/c10-7-5-11-4-6-3-8-1-2-9(6)7;/h6,8H,1-5H2;1H/t6-;/m1./s1
InChI Key:
TWLCHWNFVCWARP-FYZOBXCZSA-N
SMILES:
O=C1COC[C@@H]2N1CCNC2.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
192.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.643g/mol
Monoisotopic Mass:
192.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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