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118867-99-5 | (3S,7aR)-3-Phenyl-1,7a-dihydro-pyrrolo[1,2-c]oxazol-5-one
CAS No: 118867-99-5 Catalog No: AG00JPFC MDL No:MFCD11042444
Product Description
Catalog Number:
AG00JPFC
Chemical Name:
(3S,7aR)-3-Phenyl-1,7a-dihydro-pyrrolo[1,2-c]oxazol-5-one
CAS Number:
118867-99-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD11042444
IUPAC Name:
(3S,7aR)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
InChI:
InChI=1S/C12H11NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-7,10,12H,8H2/t10-,12+/m1/s1
InChI Key:
GYAPIMIROZBAGG-PWSUYJOCSA-N
SMILES:
O=C1C=C[C@H]2N1[C@@H](OC2)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/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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