Crotonaldehyde 98% For Synthesis

CAT: 1507-89500500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1507-89500500Size:500 mL

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CAS Number

123-73-9

HSN Code

29121910

Chemical Information

Crotonaldehyde

Crotonaldehyde is an enal consisting of propene having a formyl group at the 1-position.

CAS Number	123-73-9
PubChem CID	447466
IUPAC Name	(E)-but-2-enal
Molecular Formula	C4H6O
Molecular Weight	70.09
XLogP	0.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	45

SMILES

C/C=C/C=O

InChI

InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

InChIKey

MLUCVPSAIODCQM-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 123-73-9

CID: 447466

Formula: C4H6O

MW: 70.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	70.09
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	70.041864811
Monoisotopic Mass	70.041864811
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	45.6
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

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