Home Other Building Blocks 3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid

3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid

CAS No.:
854137-62-5
Catalog Number:
AG019OE1
Molecular Formula:
C11H10F2O4
Molecular Weight:
244.1915
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Product Description
Catalog Number:
AG019OE1
Chemical Name:
3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CAS Number:
854137-62-5
Molecular Formula:
C11H10F2O4
Molecular Weight:
244.1915
MDL Number:
MFCD28155394
IUPAC Name:
3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H10F2O4/c1-16-8-4-2-3-7(5-6-9(14)15)10(8)17-11(12)13/h2-6,11H,1H3,(H,14,15)
InChI Key:
QFJVDKGNKHMEFX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC(F)F)C=CC(=O)O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.055g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.194g/mol
Monoisotopic Mass:
244.055g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  
Properties