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62557-88-4 | 4-[3-(4-Fluoroyphenyl)prop-2-enoyl]benzoic acid
CAS No: 62557-88-4 Catalog No: AG01EWP0 MDL No:
Product Description
Catalog Number:
AG01EWP0
Chemical Name:
4-[3-(4-Fluoroyphenyl)prop-2-enoyl]benzoic acid
CAS Number:
62557-88-4
Molecular Formula:
C16H11FO3
Molecular Weight:
270.2551
IUPAC Name:
4-[3-(4-fluorophenyl)prop-2-enoyl]benzoic acid
InChI:
InChI=1S/C16H11FO3/c17-14-8-1-11(2-9-14)3-10-15(18)12-4-6-13(7-5-12)16(19)20/h1-10H,(H,19,20)
InChI Key:
MJYKFNQWEFCUBJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.259g/mol
Monoisotopic Mass:
270.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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