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118658-10-9 | 3-Chloro-4-(1-phenylethyl)-2,5-dihydrofuran-2,5-dione
CAS No: 118658-10-9 Catalog No: AG01F869 MDL No:
Product Description
Catalog Number:
AG01F869
Chemical Name:
3-Chloro-4-(1-phenylethyl)-2,5-dihydrofuran-2,5-dione
CAS Number:
118658-10-9
Molecular Formula:
C12H9ClO3
Molecular Weight:
236.6511
IUPAC Name:
3-chloro-4-(1-phenylethyl)furan-2,5-dione
InChI:
InChI=1S/C12H9ClO3/c1-7(8-5-3-2-4-6-8)9-10(13)12(15)16-11(9)14/h2-7H,1H3
InChI Key:
XSBDWQXEGOKFPX-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(=C1C(c1ccccc1)C)Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.651g/mol
Monoisotopic Mass:
236.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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