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Home > Fluorides > 951892-62-9
951892-62-9 | 5-(3-Fluoro-2-methylphenyl)-5-oxovaleric acid
CAS No: 951892-62-9 Catalog No: AG01F011 MDL No:
Product Description
Catalog Number:
AG01F011
Chemical Name:
5-(3-Fluoro-2-methylphenyl)-5-oxovaleric acid
CAS Number:
951892-62-9
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
IUPAC Name:
5-(3-fluoro-2-methylphenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C12H13FO3/c1-8-9(4-2-5-10(8)13)11(14)6-3-7-12(15)16/h2,4-5H,3,6-7H2,1H3,(H,15,16)
InChI Key:
AHESMXJVZMIJGT-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)C(=O)CCCC(=O)O
Properties
Complexity:
265
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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