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B- (3,5-Dimethoxy-4-hydroxyphenyl) propionic acid

CAT: 0286-D34575-01Size: 50 mgDry Ice: NoHazardous: Yes
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CAT#:0286-D34575-01Size:50 mg
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CAS Number
14897-78-0
Synonyms
Hydroxinapinic acid; Dihydrosinapinic acid
UN Code
UN1759
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00016559
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Corrosive Solid, N.O.S.
DOT Classification
Class 8
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; 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; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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; P310 Immediately call a POISON CENTER or doctor/physician; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Dihydrosinapic acid

Dihydrosinapic acid is a member of benzenes and a monocarboxylic acid.

CAS Number14897-78-0
PubChem CID84681
IUPAC Name3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid
Molecular FormulaC11H14O5
Molecular Weight226.23
XLogP1.3
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity216
SMILES
COC1=CC(=CC(=C1O)OC)CCC(=O)O
InChI
InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKey
BPPVOXVSMSXBEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrosinapic acid
CAS: 14897-78-0
CID: 84681
Formula: C11H14O5
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass226.08412354
Monoisotopic Mass226.08412354
Topological Polar Surface Area76 Ų
Heavy Atom Count16
Formal Charge0
Complexity216
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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