Crotonic Acid

CAT: 0572-TRC-C818785-250GSize: 250 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-C818785-250GSize:250 g

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CAS Number

107-93-7

Synonyms

(2E)-2-Butenoic acid; (E)-Crotonic acid; trans-2-Butenoic acid; trans-Crotonic acid

Hazard Statement

Harmful if swallowed; UN number: UN2823; Packing Group: III

Smiles

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

Molecular Formula

C4 H6 O2

Molecular Weight

86.09

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

Additionnal Information

IUPAC name: (E)-but-2-enoic acid

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Crotonic Acid

Crotonic acid is a but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. It has a role as a plant metabolite. It is a conjugate acid of a crotonate.

CAS Number	107-93-7
PubChem CID	637090
IUPAC Name	(E)-but-2-enoic acid
Molecular Formula	C4H6O2
Molecular Weight	86.09
XLogP	0.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	73

SMILES

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

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

InChIKey

LDHQCZJRKDOVOX-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 107-93-7

CID: 637090

Formula: C4H6O2

MW: 86.09

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	86.09
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	86.036779430
Monoisotopic Mass	86.036779430
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	73.6
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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Catalog	Name
RG-C181502-01	Crotonic Acid
HY-Y1644-01	(E) -Crotonic acid
267704-01	Crotonic acid anhydride
RG-C181503-01	Trans-Crotonic Acid
C26660	Crotonic acid 99%
60837-01	Crotonic Acid pure, 99%
HY-Y1644R-01	(E) -Crotonic acid (Standard)
T23545-01	3-Trifluoromethyl crotonic acid
89600250	Crotonic Acid 97% For Synthesis
FT80445	3- (Trifluoromethyl) Crotonic Acid

Crotonic Acid

Chemical Information

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