Products for Research Use Only
RegisterLogin

3,4,5-Trimethoxycinnamic acid

CAT: 1407-AB2238Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1407-AB2238Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
20329-98-0
Purity
98% (HPLC)
Molecular Formula
C12H14O5
Molecular Weight
238.24

Chemical Information

3,4,5-Trimethoxycinnamic acid

3,4,5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate.

CAS Number20329-98-0
PubChem CID735755
IUPAC Name(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
Molecular FormulaC12H14O5
Molecular Weight238.24
XLogP1.4
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(=C1OC)OC)/C=C/C(=O)O
InChI
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
InChIKey
YTFVRYKNXDADBI-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxycinnamic acid
CAS: 20329-98-0
CID: 735755
Formula: C12H14O5
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP31.4
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
AB16353,4,5-Tricaffeoylquinic acid
AB05724,5-Dicaffeoylquinic acid
AB34952,3,4,5-Tetracaffeoyl-D-Glucaric acid
AB12283,5-Dicaffeoylquinic acid
AB15493,4-Dicaffeoylquinic acid
AB12773,4-Dimethoxycinnamic acid
AB03901,3,5-Tricaffeoylquinic acid
AB21595,7,3',4',5'-Pentamethoxyflavone
AB27193,4'-Dihydroxy-3',5'-dimethoxypropiophenone
AB10383',4-dihydroxy-3,5'-dimethoxybibenzyl

Alternative Products

CatalogName
OR1010770-013,4,5-Trimethoxycinnamic Acid
MBS5762833, 4, 5-Trimethoxycinnamic acid
VAA32998-01(E) -3,4,5-Trimethoxycinnamic Acid
HY-W012123R-013,4,5-Trimethoxycinnamic acid (Standard)
FT70643-013,4,5-Trimethoxycinnamic acid anhydride
sc-2310152,4,5-Trimethoxycinnamic acid
OR11092-012,3,4-Trimethoxycinnamic acid
sc-2893163,4,5-Trimethoxycinnamic Acid Sodium Salt

Popular Products