Home Other Building Blocks (4-FLUORO-3-METHYLPHENYL)GLYOXYLIC ACID

(4-FLUORO-3-METHYLPHENYL)GLYOXYLIC ACID

CAS No.:
890097-97-9
Catalog Number:
AG01E2MW
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
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Product Description
Catalog Number:
AG01E2MW
Chemical Name:
(4-FLUORO-3-METHYLPHENYL)GLYOXYLIC ACID
CAS Number:
890097-97-9
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
MDL Number:
MFCD07698684
IUPAC Name:
2-(4-fluoro-3-methylphenyl)-2-oxoacetic acid
InChI:
InChI=1S/C9H7FO3/c1-5-4-6(2-3-7(5)10)8(11)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
RECCTONTBJBQKM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccc(c(c1)C)F
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  
Properties