α-Fluorocinnamic acid

CAT: 0024-sc-233771Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-233771Size:1 g

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CAS Number

350-90-3

Chemical Information

alpha-Fluorocinnamic acid

CAS Number	350-90-3
PubChem CID	1550911
IUPAC Name	(Z)-2-fluoro-3-phenylprop-2-enoic acid
Molecular Formula	C9H7FO2
Molecular Weight	166.15
XLogP	2.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	193

SMILES

C1=CC=C(C=C1)/C=C(/C(=O)O)\F

InChI

InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-

InChIKey

QONCEXMULRJPPY-VURMDHGXSA-N

Chemical Structure

2D Structure

CAS: 350-90-3

CID: 1550911

Formula: C9H7FO2

MW: 166.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.15
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.04300762
Monoisotopic Mass	166.04300762
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-208143B	P-Aminobenzoic acid, Free Acid
sc-208143A	P-Aminobenzoic acid, Free Acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-221248	Aminomalonic Acid Bis (4-aminobutyric Acid) amide Trifluoroacetic Acid Salt