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113444-54-5 | 2(5H)-Furanone, 3-(2-methoxyphenyl)-4-methyl-
CAS No: 113444-54-5 Catalog No: AG0008M4 MDL No:
Product Description
Catalog Number:
AG0008M4
Chemical Name:
2(5H)-Furanone, 3-(2-methoxyphenyl)-4-methyl-
CAS Number:
113444-54-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
4-(2-methoxyphenyl)-3-methyl-2H-furan-5-one
InChI:
InChI=1S/C12H12O3/c1-8-7-15-12(13)11(8)9-5-3-4-6-10(9)14-2/h3-6H,7H2,1-2H3
InChI Key:
FQZOPJPPBBNUAD-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1=C(C)COC1=O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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