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847555-95-7 | HEXAHYDRO-1,1-DIMETHYL-3H-OXAZOLO[3,4-A]PYRAZIN-3-ONE
CAS No: 847555-95-7 Catalog No: AG004OY1 MDL No:
Product Description
Catalog Number:
AG004OY1
Chemical Name:
HEXAHYDRO-1,1-DIMETHYL-3H-OXAZOLO[3,4-A]PYRAZIN-3-ONE
CAS Number:
847555-95-7
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
InChI:
InChI=1S/C8H14N2O2/c1-8(2)6-5-9-3-4-10(6)7(11)12-8/h6,9H,3-5H2,1-2H3
InChI Key:
VCSKBGUWXIZMGD-UHFFFAOYSA-N
SMILES:
O=C1OC(C2N1CCNC2)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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