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Home > Fluorides > 227939-13-1
227939-13-1 | 2-Propenoic acid, 3-(3-fluoro-4-hydroxyphenyl)-, ethyl ester, (2E)-
CAS No: 227939-13-1 Catalog No: AG01EUKD MDL No:
Product Description
Catalog Number:
AG01EUKD
Chemical Name:
2-Propenoic acid, 3-(3-fluoro-4-hydroxyphenyl)-, ethyl ester, (2E)-
CAS Number:
227939-13-1
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
IUPAC Name:
ethyl (E)-3-(3-fluoro-4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C11H11FO3/c1-2-15-11(14)6-4-8-3-5-10(13)9(12)7-8/h3-7,13H,2H2,1H3/b6-4+
InChI Key:
LHBPBDSDTOJEGB-GQCTYLIASA-N
SMILES:
CCOC(=O)/C=C/c1ccc(c(c1)F)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
210.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.204g/mol
Monoisotopic Mass:
210.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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