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1261500-64-4 | Benzenepropanoic acid, 4-fluoro-3-hydroxy-
CAS No: 1261500-64-4 Catalog No: AG000RTI MDL No:
Product Description
Catalog Number:
AG000RTI
Chemical Name:
Benzenepropanoic acid, 4-fluoro-3-hydroxy-
CAS Number:
1261500-64-4
Molecular Formula:
C9H9FO3
Molecular Weight:
184.1644
IUPAC Name:
3-(4-fluoro-3-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H9FO3/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChI Key:
QJDKSTIPLPEGLJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)O)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.166g/mol
Monoisotopic Mass:
184.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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