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Home > Fluorides > 845781-35-3
845781-35-3 | 5-(4-Fluorophenyl)-3-methyl-5-oxovaleric acid
CAS No: 845781-35-3 Catalog No: AG01EXPU MDL No:MFCD06201659
Product Description
Catalog Number:
AG01EXPU
Chemical Name:
5-(4-Fluorophenyl)-3-methyl-5-oxovaleric acid
CAS Number:
845781-35-3
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
MDL Number:
MFCD06201659
IUPAC Name:
5-(4-fluorophenyl)-3-methyl-5-oxopentanoic acid
InChI:
InChI=1S/C12H13FO3/c1-8(7-12(15)16)6-11(14)9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI Key:
ZWBGHTFNUNUFKM-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)CC(=O)c1ccc(cc1)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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