Acrolein

CAT: 1299-RG-E141385-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E141385-01Size:10 mg

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CAS Number

107-02-8

Synonyms

Acrylaldehyde

Molecular Formula

C3H4O

Molecular Weight

56.06

Product Name Synonym

Acrylaldehyde

Chemical Information

Acrolein

Acrolein is an enal that is prop-2-ene with an oxo group at position 1. It has a role as a herbicide, a toxin and a human xenobiotic metabolite.

CAS Number	107-02-8
PubChem CID	7847
IUPAC Name	prop-2-enal
Molecular Formula	C3H4O
Molecular Weight	56.06
XLogP	0
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	4
Formal Charge	0
Complexity	30

SMILES

C=CC=O

InChI

InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2

InChIKey

HGINCPLSRVDWNT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-02-8

CID: 7847

Formula: C3H4O

MW: 56.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	56.06
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	56.026214747
Monoisotopic Mass	56.026214747
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	30.3
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
OR1021956-01	Acrolein
abx442225	Acrolein Antibody
28741769	Acrolein diethylacetal
abx675024	Acrolein (BSA)
603-M-10K	Acrolein/Acrylonitrile
384947	Acrolein (Acrolein Modified Protein, Acrolein Conjugated Protein, 2-Propen-1-One, 2-Propenal, Acraldehyde, Acrolein, Acrylic Aldehyde, Protein-Bound Acrolein)
418932-01	2-Neopentyl-acrolein