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85094-77-5 | 5(4H)-Oxazolone, 4-(1-oxopropyl)-2-phenyl-
CAS No: 85094-77-5 Catalog No: AG004XNE MDL No:
Product Description
Catalog Number:
AG004XNE
Chemical Name:
5(4H)-Oxazolone, 4-(1-oxopropyl)-2-phenyl-
CAS Number:
85094-77-5
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-phenyl-4-propanoyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C12H11NO3/c1-2-9(14)10-12(15)16-11(13-10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChI Key:
FLCGQLNXAQAXSM-UHFFFAOYSA-N
SMILES:
CCC(=O)C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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