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Home > Fluorides > 951884-98-3
951884-98-3 | 2,2-Dimethyl-4-(3-fluoro-2-methylphenyl)-4-oxobutyric acid
CAS No: 951884-98-3 Catalog No: AG01EZMM MDL No:
Product Description
Catalog Number:
AG01EZMM
Chemical Name:
2,2-Dimethyl-4-(3-fluoro-2-methylphenyl)-4-oxobutyric acid
CAS Number:
951884-98-3
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
IUPAC Name:
4-(3-fluoro-2-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
InChI:
InChI=1S/C13H15FO3/c1-8-9(5-4-6-10(8)14)11(15)7-13(2,3)12(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChI Key:
IYODIKTVBCVHOF-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(=O)c1cccc(c1C)F)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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