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133007-27-9 | Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3-phenyl-, (3R,7aS)-
CAS No: 133007-27-9 Catalog No: AG0011IF MDL No:
Product Description
Catalog Number:
AG0011IF
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3-phenyl-, (3R,7aS)-
CAS Number:
133007-27-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
(3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C12H13NO2/c14-11-6-7-12-13(11)10(8-15-12)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-,12-/m0/s1
InChI Key:
CQPBRZXBXFZYBD-JQWIXIFHSA-N
SMILES:
O=C1CC[C@H]2N1[C@@H](CO2)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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