Trans-Sinapic acid

CAT: 0926-HAA36237-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-HAA36237-02Size:10 g

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CAS Number

7362-37-0

MDL Number

MFCD00004401

Smiles

COC1=CC (=CC (=C1O) OC) C=CC (=O) O

Molecular Formula

C11H12O5

Molecular Weight

224.21 g/mol

Controlled

Chemical Information

4-Hydroxy-3,5-dimethoxycinnamic acid

Trans-sinapic acid is a sinapic acid in which the double bond has trans-configuration. It has a role as a MALDI matrix material and a plant metabolite. It is a conjugate acid of a trans-sinapate.

CAS Number	7362-37-0
PubChem CID	637775
IUPAC Name	(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
Molecular Formula	C11H12O5
Molecular Weight	224.21
XLogP	1.5
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	249

SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O

InChI

InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+

InChIKey

PCMORTLOPMLEFB-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 7362-37-0

CID: 637775

Formula: C11H12O5

MW: 224.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	224.21
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	224.06847348
Monoisotopic Mass	224.06847348
Topological Polar Surface Area	76 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	249
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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Alternative Products

Catalog	Name
RM-S590301-01	Trans-Sinapic Acid
GL5611-1g	Sinapic acid
HY-W303130S-01	Sinapic acid ethyl ester-d3
sc-473723A	Sinapic Acid Acyl-β-D-glucoside
TRC-S486815-1MG	Sinapic Acid Acyl-beta-D-glucoside
017901	Trans, trans-Muconic Acid
TRC-A110025-50MG	(+)-trans,trans-Abscisic Acid
sc-220317	(trans, trans) -Abscisic Acid
GTR19157345-01	Trans-trans-Muconic acid
B7915-500	trans-trans Muconic acid

Trans-Sinapic acid

Chemical Information

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