Cis-3-Chloroacrylic acid

CAT: 0127-OR922105-03Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR922105-03Size:10 g

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CAS Number

1609-93-4

MDL Number

MFCD00004368

Purity

97%

Smiles

OC(=O)\C=C/Cl

Chemical Information

cis-3-Chloroacrylic acid

Cis-3-chloroacrylic-acid is an olefinic compound. It is functionally related to an acrylic acid.

CAS Number	1609-93-4
PubChem CID	643794
IUPAC Name	(Z)-3-chloroprop-2-enoic acid
Molecular Formula	C3H3ClO2
Molecular Weight	106.51
XLogP	0.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	76

SMILES

C(=C\Cl)\C(=O)O

InChI

InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-

InChIKey

MHMUCYJKZUZMNJ-UPHRSURJSA-N

Chemical Structure

2D Structure

CAS: 1609-93-4

CID: 643794

Formula: C3H3ClO2

MW: 106.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.51
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	105.9821570
Monoisotopic Mass	105.9821570
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	76.9
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
OR2048-01	(E) -3-Chloroacrylic acid
OR8278-01	Cis-3-Aminocyclobutanecarboxylic acid
OR317126	Cis-3-Methoxycyclobutanecarboxylic acid
OR1062352-01	Cis-3-Aminocyclohexanecarboxylic acid
OR1069955-01	Cis-3-Methoxycyclohexanecarboxylic acid
OR1065643-01	Cis-3-Hexenoic acid
OR317124	Cis-3-Hydroxycyclobutanecarboxylic acid
OR1070066-01	Cis-3-Hydroxycyclohexanecarboxylic acid
OR317068	Cis-3-Methylcyclobutanecarboxylic acid
OR1012666-01	Cis Cis-Muconic Acid

Catalog	Name
B418328	Cis-3-chloroacrylic acid
sc-229504	Trans-3-Chloroacrylic acid
T203941-01	(E) -3-Chloroacrylic Acid
sc-274730	2-Chloroacrylic acid
sc-234397	Cis, cis, cis, cis-1,2,3,4-Cyclopentanetetracarboxylic acid
TN8403-01	Cis-3-Indoleacrylic acid
sc-472843	Cis-3-Aminocyclohexanecarboxylic Acid
CXA84935-01	Cis-3-Methoxycyclobutanecarboxylic acid
444674-01	Cis-3-Hydroxycyclobutanecarboxylic acid
HY-W041874	Cis-3-Aminocyclobutanecarboxylic acid