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15121-74-1 | 2(3H)-Furanone, 3-methyl-5-phenyl-
CAS No: 15121-74-1 Catalog No: AG001N65 MDL No:
Product Description
Catalog Number:
AG001N65
Chemical Name:
2(3H)-Furanone, 3-methyl-5-phenyl-
CAS Number:
15121-74-1
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
3-methyl-5-phenyl-3H-furan-2-one
InChI:
InChI=1S/C11H10O2/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
BFVMDXITKUGNDP-UHFFFAOYSA-N
SMILES:
CC1C=C(OC1=O)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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