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Home > Fluorides > 951888-91-8
951888-91-8 | 2,2-Dimethyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutyric acid
CAS No: 951888-91-8 Catalog No: AG01EZST MDL No:
Product Description
Catalog Number:
AG01EZST
Chemical Name:
2,2-Dimethyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutyric acid
CAS Number:
951888-91-8
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
IUPAC Name:
4-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
InChI:
InChI=1S/C13H15FO4/c1-13(2,12(16)17)7-10(15)8-4-5-11(18-3)9(14)6-8/h4-6H,7H2,1-3H3,(H,16,17)
InChI Key:
IHJGTSAVLOJSPM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)CC(C(=O)O)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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