2,4,5-Trimethoxycinnamic acid

CAT: 0127-OR27661-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

24160-53-0

Synonyms

3- (2,4,5-Trimethoxyphenyl) acrylic acid

MDL Number

MFCD00004377

Purity

97%

Smiles

COc1cc(OC)c(\C=C\C(=O)O)cc1OC

Chemical Information

2,4,5-Trimethoxycinnamic acid

(2E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid has been reported in Alpinia flabellata and Piper mullesua with data available.

CAS Number	24160-53-0
PubChem CID	688363
IUPAC Name	(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
Molecular Formula	C12H14O5
Molecular Weight	238.24
XLogP	1.8
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	276

SMILES

COC1=CC(=C(C=C1/C=C/C(=O)O)OC)OC

InChI

InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)/b5-4+

InChIKey

XCEGAEUDHJEYRY-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 24160-53-0

CID: 688363

Formula: C12H14O5

MW: 238.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	238.08412354
Monoisotopic Mass	238.08412354
Topological Polar Surface Area	65 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276
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

Catalog	Name
OR1010770-01	3,4,5-Trimethoxycinnamic Acid
BUP19425	3,4,5-Trimethoxycinnamic acid
OR6576-01	3,4,5-Trimethoxycinnamic acid
OR11092-01	2,3,4-Trimethoxycinnamic acid
BUP16768-01	(E) -3,4,5-Trimethoxycinnamic acid
OR1074958-01	2,4,5-Trichlorophenylboronic acid
PC109272-01	2,4,5-Trifluorobenzoic Acid
OR43584-01	2,4,5-Trichlorobenzoic acid
OR13731-01	2,4,5-Trimethylbenzoic acid
PC9367-01	2,4,5-Trifluorocinnamic acid

Catalog	Name
sc-231015	2,4,5-Trimethoxycinnamic acid
C10581	3,4,5-Trimethoxycinnamic acid
MBS576283	3, 4, 5-Trimethoxycinnamic acid
FT69928-01	2,4,6-Trimethoxycinnamic acid
T26130	2,3,4-Trimethoxycinnamic Acid
VAA32998-01	(E) -3,4,5-Trimethoxycinnamic Acid
HY-W012123R-01	3,4,5-Trimethoxycinnamic acid (Standard)
FT70643-01	3,4,5-Trimethoxycinnamic acid anhydride
FT40160-01	Trans-2,3,4-Trimethoxycinnamic acid