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1969288-46-7 | rac-(7R,7aS)-7-hydroxy-hexahydropyrrolo[1,2-c][1,3]oxazol-3-one, trans
CAS No: 1969288-46-7 Catalog No: AG01B5F8 MDL No:MFCD30181818
Product Description
Catalog Number:
AG01B5F8
Chemical Name:
rac-(7R,7aS)-7-hydroxy-hexahydropyrrolo[1,2-c][1,3]oxazol-3-one, trans
CAS Number:
1969288-46-7
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD30181818
IUPAC Name:
(7R,7aS)-7-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
InChI:
InChI=1S/C6H9NO3/c8-5-1-2-7-4(5)3-10-6(7)9/h4-5,8H,1-3H2/t4-,5+/m0/s1
InChI Key:
UJDASDIGQWQAMP-CRCLSJGQSA-N
SMILES:
O[C@@H]1CCN2[C@H]1COC2=O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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