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1797723-62-6 | 4-(4-ethoxy-3-fluorophenyl)-4-oxobutanoic acid
CAS No: 1797723-62-6 Catalog No: AG01ABSF MDL No:MFCD26935980
Product Description
Catalog Number:
AG01ABSF
Chemical Name:
4-(4-ethoxy-3-fluorophenyl)-4-oxobutanoic acid
CAS Number:
1797723-62-6
Molecular Formula:
C12H13FO4
Molecular Weight:
240.2276
MDL Number:
MFCD26935980
IUPAC Name:
4-(4-ethoxy-3-fluorophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H13FO4/c1-2-17-11-5-3-8(7-9(11)13)10(14)4-6-12(15)16/h3,5,7H,2,4,6H2,1H3,(H,15,16)
InChI Key:
HXZRWFLDERXQFQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1F)C(=O)CCC(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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