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87950-39-8 | 5(4H)-Oxazolone,4-[[3,4-bis(acetyloxy)phenyl]methylene]-2-methyl-
CAS No: 87950-39-8 Catalog No: AG004D51 MDL No:
Product Description
Catalog Number:
AG004D51
Chemical Name:
5(4H)-Oxazolone,4-[[3,4-bis(acetyloxy)phenyl]methylene]-2-methyl-
CAS Number:
87950-39-8
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
[2-acetyloxy-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
InChI:
InChI=1S/C15H13NO6/c1-8-16-12(15(19)20-8)6-11-4-5-13(21-9(2)17)14(7-11)22-10(3)18/h4-7H,1-3H3
InChI Key:
DMGXTEIBZJZYKU-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(ccc1OC(=O)C)C=C1N=C(OC1=O)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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