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Home > Fluorides > 951885-33-9
951885-33-9 | 5-(3-Fluoro-4-methoxyphenyl)-3-methyl-5-oxovaleric acid
CAS No: 951885-33-9 Catalog No: AG01EZN8 MDL No:
Product Description
Catalog Number:
AG01EZN8
Chemical Name:
5-(3-Fluoro-4-methoxyphenyl)-3-methyl-5-oxovaleric acid
CAS Number:
951885-33-9
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
IUPAC Name:
5-(3-fluoro-4-methoxyphenyl)-3-methyl-5-oxopentanoic acid
InChI:
InChI=1S/C13H15FO4/c1-8(6-13(16)17)5-11(15)9-3-4-12(18-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChI Key:
XOGSHMFIMINZRZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)CC(CC(=O)O)C
Properties
Complexity:
305
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:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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