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132959-39-8 | Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3,7a-diphenyl-, (3R,7aR)-
CAS No: 132959-39-8 Catalog No: AG0011FR MDL No:MFCD01632544
Product Description
Catalog Number:
AG0011FR
Chemical Name:
Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3,7a-diphenyl-, (3R,7aR)-
CAS Number:
132959-39-8
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD01632544
IUPAC Name:
(3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
InChI:
InChI=1S/C18H17NO2/c20-17-11-12-18(15-9-5-2-6-10-15)19(17)16(13-21-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,18+/m0/s1
InChI Key:
DKQMLBIEOBOMDP-FUHWJXTLSA-N
SMILES:
O=C1CC[C@]2(N1[C@@H](CO2)c1ccccc1)c1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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