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3,4-Methylenedioxycinnamic acid

CAT: 0286-M17148-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-M17148-01Size:25 g
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CAS Number
2373-80-0
Synonyms
Piperonyl acrylic acid; 3- (3,4-Methylenedioxyphenyl) acrylic acid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005837
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.
DOT Name
Not D.O.T.-Regulated
Precautions
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

3,4-Methylenedioxycinnamic acid

Methylenedioxycinnamic acid is a hydroxycinnamic acid.

CAS Number2373-80-0
PubChem CID643181
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Molecular FormulaC10H8O4
Molecular Weight192.17
XLogP2.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity249
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+
InChIKey
QFQYZMGOKIROEC-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Methylenedioxycinnamic acid
CAS: 2373-80-0
CID: 643181
Formula: C10H8O4
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass192.04225873
Monoisotopic Mass192.04225873
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity249
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

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