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773131-66-1 | 4-Methoxy-2-(trifluoromethyl)cinnamic acid
CAS No: 773131-66-1 Catalog No: AG01EXCS MDL No:
Product Description
Catalog Number:
AG01EXCS
Chemical Name:
4-Methoxy-2-(trifluoromethyl)cinnamic acid
CAS Number:
773131-66-1
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
IUPAC Name:
3-[4-methoxy-2-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H9F3O3/c1-17-8-4-2-7(3-5-10(15)16)9(6-8)11(12,13)14/h2-6H,1H3,(H,15,16)
InChI Key:
KIZGTKORCAWIMH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)/C=C/C(=O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.185g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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