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347-63-7 | 4-(3-Fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CAS No: 347-63-7 Catalog No: AG003I2C MDL No:MFCD00020538
Product Description
Catalog Number:
AG003I2C
Chemical Name:
4-(3-Fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CAS Number:
347-63-7
Molecular Formula:
C11H11FO4
Molecular Weight:
226.2010
MDL Number:
MFCD00020538
IUPAC Name:
4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C11H11FO4/c1-16-10-4-2-7(6-8(10)12)9(13)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)
InChI Key:
SNRFVYKMDZSFED-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)CCC(=O)O
EC Number:
206-474-7
NSC Number:
87577
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.203g/mol
Monoisotopic Mass:
226.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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