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1092460-67-7 | 3-Fluoro-2-methoxycinnamic acid
CAS No: 1092460-67-7 Catalog No: AG01FESL MDL No:
Product Description
Catalog Number:
AG01FESL
Chemical Name:
3-Fluoro-2-methoxycinnamic acid
CAS Number:
1092460-67-7
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
IUPAC Name:
(E)-3-(3-fluoro-2-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9FO3/c1-14-10-7(5-6-9(12)13)3-2-4-8(10)11/h2-6H,1H3,(H,12,13)/b6-5+
InChI Key:
FMYBYMHWQVOYKV-AATRIKPKSA-N
SMILES:
COc1c(/C=C/C(=O)O)cccc1F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.177g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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