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40051-96-5 | 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-
CAS No: 40051-96-5 Catalog No: AG0075UV MDL No:
Product Description
Catalog Number:
AG0075UV
Chemical Name:
5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-
CAS Number:
40051-96-5
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
4-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-1,3-oxazol-5-ol
InChI:
InChI=1S/C13H12N2O2/c16-13-11(10-7-4-8-14-10)15-12(17-13)9-5-2-1-3-6-9/h1-3,5-6,16H,4,7-8H2
InChI Key:
QJMMKJLGBCVTRO-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=C1CCCN1)c1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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