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Home > Fluorides > 890097-96-8
890097-96-8 | (3-Fluoro-4-methylphenyl)glyoxylic acid
CAS No: 890097-96-8 Catalog No: AG01EYJA MDL No:
Product Description
Catalog Number:
AG01EYJA
Chemical Name:
(3-Fluoro-4-methylphenyl)glyoxylic acid
CAS Number:
890097-96-8
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
IUPAC Name:
2-(3-fluoro-4-methylphenyl)-2-oxoacetic acid
InChI:
InChI=1S/C9H7FO3/c1-5-2-3-6(4-7(5)10)8(11)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
ABTHEXLLIIORDF-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccc(c(c1)F)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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