Home Other Building Blocks (2E)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enoic acid

(2E)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enoic acid

CAS No.:
1262019-00-0
Catalog Number:
AG01AUV0
Molecular Formula:
C9H6F2O3
Molecular Weight:
200.1389
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Product Description
Catalog Number:
AG01AUV0
Chemical Name:
(2E)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enoic acid
CAS Number:
1262019-00-0
Molecular Formula:
C9H6F2O3
Molecular Weight:
200.1389
MDL Number:
MFCD06797927
IUPAC Name:
3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6F2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)
InChI Key:
UVDDPORSKADCPV-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc(F)c(c(c1)F)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.141g/mol
Monoisotopic Mass:
200.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  
Properties