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Home > Fluorides > 951892-59-4
951892-59-4 | 4-(3-Fluoro-2-methylphenyl)-4-oxobutyric acid
CAS No: 951892-59-4 Catalog No: AG01F00Y MDL No:
Product Description
Catalog Number:
AG01F00Y
Chemical Name:
4-(3-Fluoro-2-methylphenyl)-4-oxobutyric acid
CAS Number:
951892-59-4
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
IUPAC Name:
4-(3-fluoro-2-methylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C11H11FO3/c1-7-8(3-2-4-9(7)12)10(13)5-6-11(14)15/h2-4H,5-6H2,1H3,(H,14,15)
InChI Key:
DZNCKXZNESNGKK-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)C(=O)CCC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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