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95885-57-7 | 5(4H)-Oxazolone, 2,4-diphenyl-4-(2-propynyl)-
CAS No: 95885-57-7 Catalog No: AG005WY1 MDL No:
Product Description
Catalog Number:
AG005WY1
Chemical Name:
5(4H)-Oxazolone, 2,4-diphenyl-4-(2-propynyl)-
CAS Number:
95885-57-7
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
2,4-diphenyl-4-prop-2-ynyl-1,3-oxazol-5-one
InChI:
InChI=1S/C18H13NO2/c1-2-13-18(15-11-7-4-8-12-15)17(20)21-16(19-18)14-9-5-3-6-10-14/h1,3-12H,13H2
InChI Key:
GHBAOCWEHJTAHB-UHFFFAOYSA-N
SMILES:
C#CCC1(N=C(OC1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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