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1017777-98-8 | Benzenepropanoic acid, 2-methyl-3-(trifluoromethyl)-
CAS No: 1017777-98-8 Catalog No: AG0005HK MDL No:MFCD09832282
Product Description
Catalog Number:
AG0005HK
Chemical Name:
Benzenepropanoic acid, 2-methyl-3-(trifluoromethyl)-
CAS Number:
1017777-98-8
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD09832282
IUPAC Name:
3-[2-methyl-3-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C11H11F3O2/c1-7-8(5-6-10(15)16)3-2-4-9(7)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,16)
InChI Key:
MHVYTEBUXSYYCO-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1C)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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