Acetaldehyde

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CAS Number

75-07-0

Synonyms

Acetaldehyde; Acetic Aldehyde; Ethanal; Ethyl Aldehyde; NSC 7594

Molecular Formula

C2H4O

Molecular Weight

44.05

API Name

Acetal

Chemical Information

Acetaldehyde

Acetaldehyde can cause cancer according to an independent committee of scientific and health experts.

CAS Number	75-07-0
PubChem CID	177
IUPAC Name	acetaldehyde
Molecular Formula	C2H4O
Molecular Weight	44.05
XLogP	-0.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	3
Formal Charge	0
Complexity	10

SMILES

CC=O

InChI

InChI=1S/C2H4O/c1-2-3/h2H,1H3

InChIKey

IKHGUXGNUITLKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75-07-0

CID: 177

Formula: C2H4O

MW: 44.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	44.05
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	44.026214747
Monoisotopic Mass	44.026214747
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	10.3
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
CS-T-46910	Acetaldehyde
FA164736-01	Acetaldehyde-13C2
TRC-T809000-5G	(Triphenylphosphoranylidene)acetaldehyde
RM-O162002-01	Olopatadine Acetaldehyde
sc-213121	(Triphenylphosphoranylidene) acetaldehyde
OR43518-01	(Benzyloxy) acetaldehyde
90026605-25g	Acetaldehyde oxime
GTR19264077-01	(Methylamino) acetaldehyde
CZM1061-01	Acetaldehyde Dehydrogenase
S-125-W1.8	Acetaldehyde in Water