Products for Research Use Only
RegisterLogin

Methyl sinapinate

CAT: 0926-FM67295-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FM67295-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
20733-94-2
Synonyms
Methyl 3,5-dimethoxy-4-hydroxycinnamate;3,5-Dimethoxy-4-hydroxycinnamic acid methyl ester
MDL Number
MFCD00210467
Smiles
COC1=CC (=CC (=C1O) OC) /C=C/C (=O) OC
Molecular Formula
C12H14O5
Molecular Weight
238.24 g/mol
Controlled
No

Chemical Information

Antithiamine factor

Methyl-sinapate is a hydroxycinnamic acid.

CAS Number20733-94-2
PubChem CID5321318
IUPAC Namemethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Molecular FormulaC12H14O5
Molecular Weight238.24
XLogP1.8
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity262
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC
InChI
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChIKey
JHLPYWLKSLVYOI-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Antithiamine factor
CAS: 20733-94-2
CID: 5321318
Formula: C12H14O5
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass238.08412354
Monoisotopic Mass238.08412354
Topological Polar Surface Area65 Ų
Heavy Atom Count17
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
CDA40203-01Methyl acrylamidoglycolate methyl ester
CAC27280-01Benzyl N- ({[ (cyclopropylcarbamoyl) methyl] (methyl) carbamoyl}methyl) carbamate
KBA61598-01Methyl 4-methyl-1-naphthoate
JDB64956-01[ (4-Methanesulfonylphenyl) methyl] (methyl) amine
SDC10855-01Methyl[ (4-methylcyclohexyl) methyl]amine
SCA96443-01Methyl 3-methyl-2-sulfanylbutanoate
SAA86031-01[ (1-Methoxycyclopentyl) methyl] (methyl) amine
RBA84153-01Methyl 4-methyl-6-oxoheptanoate
RAA50706-01Methyl 3-methyl-4-nitrobutanoate
PAA98318-01Methyl 3-methyl-5-oxohexanoate

Alternative Products

CatalogName
AR-L05996-01Methyl ?-methyl-4-[ (2-oxocyclopentyl) methyl]benzeneacetate
TRC-M294845-2.5GMethyl Decanoate(Methyl Caprate)
OR1092028Methyl 4-methyl-α-oxobenzeneacetate
OR26323Methyl (methylthio) methyl sulphone
1013001METHYL TRIFLUOROMETHANESULFONATE (METHYL TRIFLATE )
050165-01Chloro Methyl Methyl Ether
sc-483471Methyl Acrylamidoglycolate Methyl Ester
455891-01Methyl Decanoate (Methyl Caprate)
RG-E140862-01Methyl (methoxycarbonyl) (methyl) sulfuramidite
RG-E141083-01(Dimethylamino) methyl methyl carbonate

Popular Products