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1017779-56-4 | Benzenepropanoic acid, 3-fluoro-5-methyl-
CAS No: 1017779-56-4 Catalog No: AG0005HC MDL No:MFCD09832369
Product Description
Catalog Number:
AG0005HC
Chemical Name:
Benzenepropanoic acid, 3-fluoro-5-methyl-
CAS Number:
1017779-56-4
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD09832369
IUPAC Name:
3-(3-fluoro-5-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11FO2/c1-7-4-8(2-3-10(12)13)6-9(11)5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
SEUXGGXOPIWHGW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(C)cc(c1)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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