2- (2-Hydroxyethoxy) acetaldehyde

CAT: 0127-OR1067997-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1067997-02Size:250 mg

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CAS Number

17976-70-4

MDL Number

MFCD13185914

Purity

98%

Smiles

O=CCOCCO

Chemical Information

Acetaldehyde, 2-(2-hydroxyethoxy)-

CAS Number	17976-70-4
PubChem CID	176960
IUPAC Name	2-(2-hydroxyethoxy)acetaldehyde
Molecular Formula	C4H8O3
Molecular Weight	104.10
XLogP	-1.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	44

SMILES

C(COCC=O)O

InChI

InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2

InChIKey

DSGGHBUAHUMMHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17976-70-4

CID: 176960

Formula: C4H8O3

MW: 104.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.10
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	104.047344113
Monoisotopic Mass	104.047344113
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	44.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR322350	2- (2-Hydroxyethoxy) benzaldehyde
OR59806	2- (2-Hydroxyethoxy) phenol
OR962753-01	2- (2-Hydroxyethoxy) -benzonitrile
OR93484	2- (Phenylthio) acetaldehyde
OR916906-01	(2-Methoxyphenyl) acetaldehyde
OR21299	2- (2-Phenylhydrazono) acetaldehyde
PC109906-01	2- (2-Fluorophenyl) Acetaldehyde
OR1048412-01	2- (2-Isopropoxyphenyl) acetaldehyde
OR1062477-01	2- (2-Chlorophenyl) acetaldehyde
OR1066537-01	2- (2-Nitrophenyl) acetaldehyde

Catalog	Name
261929-01	2- (Benzyloxy) acetaldehyde
TYD-00480-01	2- (Triphenylphosphoranylidene) acetaldehyde
RG-E140585-01	2- (methylamino) acetaldehyde
MBS5771793	2-(Dimethylamino)acetaldehyde
GTR19202838-01	2- (Dimethylamino) acetaldehyde
TRC-D442365-250MG	2-(Difluoromethoxy)-acetaldehyde
sc-274981	(2-Methoxyphenyl) acetaldehyde
263263	(2-Bromophenyl) acetaldehyde
TRC-B285835-500MG	2-(Benzyloxy)acetaldehyde
abx184844-01	(2-Chlorophenoxy)-Acetaldehyde