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101833-08-3 | 2(5H)-Furanone, 4-(chloromethyl)-3-phenyl-
CAS No: 101833-08-3 Catalog No: AG0005O3 MDL No:
Product Description
Catalog Number:
AG0005O3
Chemical Name:
2(5H)-Furanone, 4-(chloromethyl)-3-phenyl-
CAS Number:
101833-08-3
Molecular Formula:
C11H9ClO2
Molecular Weight:
208.6410
IUPAC Name:
3-(chloromethyl)-4-phenyl-2H-furan-5-one
InChI:
InChI=1S/C11H9ClO2/c12-6-9-7-14-11(13)10(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
AHXXHLIYVGJQHD-UHFFFAOYSA-N
SMILES:
ClCC1=C(C(=O)OC1)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.641g/mol
Monoisotopic Mass:
208.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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