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88969-76-0 | 2(5H)-Furanone, 4-chloro-5-(2-oxo-2-phenylethyl)-3-phenoxy-
CAS No: 88969-76-0 Catalog No: AG0046VH MDL No:
Product Description
Catalog Number:
AG0046VH
Chemical Name:
2(5H)-Furanone, 4-chloro-5-(2-oxo-2-phenylethyl)-3-phenoxy-
CAS Number:
88969-76-0
Molecular Formula:
C18H13ClO4
Molecular Weight:
328.7464
IUPAC Name:
3-chloro-2-phenacyl-4-phenoxy-2H-furan-5-one
InChI:
InChI=1S/C18H13ClO4/c19-16-15(11-14(20)12-7-3-1-4-8-12)23-18(21)17(16)22-13-9-5-2-6-10-13/h1-10,15H,11H2
InChI Key:
YHFAIJYOTDDUIY-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1OC(=O)C(=C1Cl)Oc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.748g/mol
Monoisotopic Mass:
328.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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