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156088-45-8 | 3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-3,3,6,6-tetramethyl-, (7aS)-
CAS No: 156088-45-8 Catalog No: AG001OHF MDL No:
Product Description
Catalog Number:
AG001OHF
Chemical Name:
3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-3,3,6,6-tetramethyl-, (7aS)-
CAS Number:
156088-45-8
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
(7aS)-3,3,6,6-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
InChI:
InChI=1S/C10H17NO2/c1-9(2)5-7-6-13-10(3,4)11(7)8(9)12/h7H,5-6H2,1-4H3/t7-/m0/s1
InChI Key:
VYBJLGCAWGAKAA-ZETCQYMHSA-N
SMILES:
O=C1N2[C@@H](CC1(C)C)COC2(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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