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100397-07-7 | 2,5-Furandione, 3-methyl-4-(2-phenylethyl)-
CAS No: 100397-07-7 Catalog No: AG0001W5 MDL No:
Product Description
Catalog Number:
AG0001W5
Chemical Name:
2,5-Furandione, 3-methyl-4-(2-phenylethyl)-
CAS Number:
100397-07-7
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
3-methyl-4-(2-phenylethyl)furan-2,5-dione
InChI:
InChI=1S/C13H12O3/c1-9-11(13(15)16-12(9)14)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
JWJLQAZHWQYVPJ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(=C1CCc1ccccc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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