Sinapinic acid 1g

CAT: 0628-A15683-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A15683-1000Size:1000 mg

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CAS Number

530-59-6

Chemical Information

Sinapic acid

Sinapic acid is a matrix for matrix-assisted laser desorption technique for protein MW determination. It is also a constituent of propolis.

CAS Number	530-59-6
PubChem CID	10743
IUPAC Name	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=CC(=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)

InChIKey

PCMORTLOPMLEFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 530-59-6

CID: 10743

Formula: C11H12O5

MW: 224.21

Interactive 3D Structure

Loading 3D structure...

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	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FS67473-01	Sinapinic acid
HY-W009732A	Cis-Sinapinic acid
HY-W009732R-01	Sinapinic acid (Standard)
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid