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15954-41-3 | Benzenepropanoic acid, 4-fluoro-β-methyl-
CAS No: 15954-41-3 Catalog No: AG001R68 MDL No:MFCD00020504
Product Description
Catalog Number:
AG001R68
Chemical Name:
Benzenepropanoic acid, 4-fluoro-β-methyl-
CAS Number:
15954-41-3
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD00020504
IUPAC Name:
3-(4-fluorophenyl)butanoic acid
InChI:
InChI=1S/C10H11FO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
RGWUPQHXIQNHFN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)F)CC(=O)O
NSC Number:
157482
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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