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137466-13-8 | Benzenepropanoic acid, 5-fluoro-2-methyl-
CAS No: 137466-13-8 Catalog No: AG0013BU MDL No:MFCD06823956
Product Description
Catalog Number:
AG0013BU
Chemical Name:
Benzenepropanoic acid, 5-fluoro-2-methyl-
CAS Number:
137466-13-8
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD06823956
IUPAC Name:
3-(5-fluoro-2-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11FO2/c1-7-2-4-9(11)6-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key:
YXEHAOQFWXEWDY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CCC(=O)O)F
Properties
Complexity:
182
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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