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88969-74-8 | 2(5H)-Furanone, 4-chloro-5-(2-oxopropyl)-3-phenoxy-
CAS No: 88969-74-8 Catalog No: AG0045XX MDL No:
Product Description
Catalog Number:
AG0045XX
Chemical Name:
2(5H)-Furanone, 4-chloro-5-(2-oxopropyl)-3-phenoxy-
CAS Number:
88969-74-8
Molecular Formula:
C13H11ClO4
Molecular Weight:
266.6770
IUPAC Name:
3-chloro-2-(2-oxopropyl)-4-phenoxy-2H-furan-5-one
InChI:
InChI=1S/C13H11ClO4/c1-8(15)7-10-11(14)12(13(16)18-10)17-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChI Key:
BWPBLVNJLQXRSJ-UHFFFAOYSA-N
SMILES:
CC(=O)CC1OC(=O)C(=C1Cl)Oc1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.677g/mol
Monoisotopic Mass:
266.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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