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39600-31-2 | 4-[[4-(Acetyloxy)-3-methoxyphenyl]methylene]-2-methyloxazol-5(4H)-one
CAS No: 39600-31-2 Catalog No: AG00CNWG MDL No:
Product Description
Catalog Number:
AG00CNWG
Chemical Name:
4-[[4-(Acetyloxy)-3-methoxyphenyl]methylene]-2-methyloxazol-5(4H)-one
CAS Number:
39600-31-2
IUPAC Name:
[2-methoxy-4-[(Z)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
InChI:
InChI=1S/C14H13NO5/c1-8-15-11(14(17)19-8)6-10-4-5-12(20-9(2)16)13(7-10)18-3/h4-7H,1-3H3/b11-6-
InChI Key:
VRLBAMQNHIJOSI-WDZFZDKYSA-N
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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