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99208-71-6 | 3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-3,3-dimethyl-, (7aS)-
CAS No: 99208-71-6 Catalog No: AG00IK8U MDL No:MFCD26940310
Product Description
Catalog Number:
AG00IK8U
Chemical Name:
3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-3,3-dimethyl-, (7aS)-
CAS Number:
99208-71-6
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD26940310
IUPAC Name:
(7aS)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
InChI:
InChI=1S/C8H13NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChI Key:
YTXXRLXVAZGQAL-LURJTMIESA-N
SMILES:
O=C1CC[C@@H]2N1C(C)(C)OC2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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