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122383-34-0 | Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3-phenyl-, (3S,7aR)-
CAS No: 122383-34-0 Catalog No: AG00176M MDL No:MFCD01632545
Product Description
Catalog Number:
AG00176M
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3-phenyl-, (3S,7aR)-
CAS Number:
122383-34-0
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD01632545
IUPAC Name:
(3S,7aR)-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-/m1/s1
InChI Key:
CQPBRZXBXFZYBD-ZYHUDNBSSA-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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