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B- (2,3,4-Trimethoxyphenyl) propionic Acid

CAT: 0286-T26230-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-T26230-01Size:100 mg
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CAS Number
33130-04-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002773
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

3-(2,3,4-Trimethoxyphenyl)propionic acid
CAS Number33130-04-0
PubChem CID118401
IUPAC Name3-(2,3,4-trimethoxyphenyl)propanoic acid
Molecular FormulaC12H16O5
Molecular Weight240.25
XLogP1.5
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity243
SMILES
COC1=C(C(=C(C=C1)CCC(=O)O)OC)OC
InChI
InChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4,6H,5,7H2,1-3H3,(H,13,14)
InChIKey
QOPNYPCVRBRZOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,3,4-Trimethoxyphenyl)propionic acid
CAS: 33130-04-0
CID: 118401
Formula: C12H16O5
MW: 240.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.25
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass240.09977361
Monoisotopic Mass240.09977361
Topological Polar Surface Area65 Ų
Heavy Atom Count17
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2384563- (3,4,5-Trimethoxyphenyl) propionic acid
sc-3226103-Oxo-3- (2,3,4-trimethoxyphenyl) propionic acid methyl ester
sc-3226123-Oxo-3- (3,4,5-trimethoxyphenyl) propionic acid methyl ester
sc-2519063- (2,4-Dihydroxyphenyl) propionic acid
sc-2258563- (2,4-Dimethoxyphenyl) propionic acid
PC302182-013- (2,4-Difluorophenyl) propionic acid
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