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331-42-0 | 4-(3-fluoro-4-methoxyphenyl)butanoic acid
CAS No: 331-42-0 Catalog No: AG019YR1 MDL No:MFCD06810339
Product Description
Catalog Number:
AG019YR1
Chemical Name:
4-(3-fluoro-4-methoxyphenyl)butanoic acid
CAS Number:
331-42-0
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
MDL Number:
MFCD06810339
IUPAC Name:
4-(3-fluoro-4-methoxyphenyl)butanoic acid
InChI:
InChI=1S/C11H13FO3/c1-15-10-6-5-8(7-9(10)12)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key:
QKWHNXWKHRRCDZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)CCCC(=O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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