3-Ethoxyacrylic acid

CAT: 0127-OR27579-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR27579-01Size:250 mg

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CAS Number

6192-01-4

Synonyms

3-Ethoxyprop-2-enoic acid

MDL Number

MFCD01566841

Purity

95%

Smiles

CCO\C=C\C(=O)O

Additionnal Information

Mixture of E/Z isomers

Chemical Information

(E)-3-ethoxyacrylic acid

CAS Number	6192-01-4
PubChem CID	5709609
IUPAC Name	(E)-3-ethoxyprop-2-enoic acid
Molecular Formula	C5H8O3
Molecular Weight	116.11
XLogP	0.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	95

SMILES

CCO/C=C/C(=O)O

InChI

InChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+

InChIKey

SYMAGJYJMLUEQE-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 6192-01-4

CID: 5709609

Formula: C5H8O3

MW: 116.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.11
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	95.8
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
PC110925-01	3,3-Difluoropentanoic acid
OR1074752-01	3,3'-Diselanediyldipropanoic acid
PC403000	3,3-Difluorocyclohexanecarboxylic acid
OR93656-01	3,3'-Thiodipropanoic acid
OR1035101-01	3,3-Diphenylacrylic acid
OR0494-01	3,3-Dimethylbutanoic acid
PC110739-01	3,3-Difluorobutanoic acid
PC102128-01	3,3-Difluoropropanoic acid
OR1010761-01	3,3-Dithiodipropionic Acid
OR90205-01	3,3-Diethoxypropanoic acid

Catalog	Name
sc-260905	3-Ethoxyacrylic acid
TRC-E890902-50MG	3-Ethoxyacrylic Acid Ethyl Ester-13C2(cis/trans-Mixture)
TRC-T790735-500MG	2-(2,4,5-Trifluoro-3-methoxybenzoyl)-3-ethoxyacrylic Acid Ethyl Ester
TRC-M119915-1G	2-(2-Methyl-3,4,6-trifluorobenzoyl)-3-ethoxyacrylic Acid Ethyl Ester
sc-475631	2- (2,4,5-Trifluoro-3-methoxybenzoyl) -3-ethoxyacrylic Acid Ethyl Ester
34825450-1g	3,3',5-Triiodothyroacetic acid, free acid
D54560-01	3 3'-Dithiodipropionic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
426860	3,3'-Thiodipropanoic Acid