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958635-15-9 | (S)-Hexahydro-oxazolo[3,4-a]pyrazin-3-one HCl
CAS No: 958635-15-9 Catalog No: AG00IJHI MDL No:MFCD09878826
Product Description
Catalog Number:
AG00IJHI
Chemical Name:
(S)-Hexahydro-oxazolo[3,4-a]pyrazin-3-one HCl
CAS Number:
958635-15-9
Molecular Formula:
C6H11ClN2O2
Molecular Weight:
178.6167
MDL Number:
MFCD09878826
IUPAC Name:
(8aS)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride
InChI:
InChI=1S/C6H10N2O2.ClH/c9-6-8-2-1-7-3-5(8)4-10-6;/h5,7H,1-4H2;1H/t5-;/m0./s1
InChI Key:
NEFDJLDMYYSLHW-JEDNCBNOSA-N
SMILES:
O=C1OC[C@H]2N1CCNC2.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
178.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.616g/mol
Monoisotopic Mass:
178.051g/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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