Dihydrocaffeic Acid

Catalog	ACM1078611-2
CAS	1078-61-1
Structure
Synonyms	3-Propionic acid
IUPAC Name	3-(3,4-Dihydroxyphenyl)propanoic acid
Molecular Weight	182.17
Molecular Formula	C9H10O4
Canonical SMILES	C1=CC(=C(C=C1CCC(=O)O)O)O
InChI	InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChI Key	DZAUWHJDUNRCTF-UHFFFAOYSA-N
Boiling Point	418 °C
Melting Point	136-139 °C(lit.)
Flash Point	220 °C
Purity	99%
Density	1.398 g/cm³
Solubility	Slightly soluble in water
Appearance	Solid
Storage	Inert atmosphere, room temperature
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Physical State	Solid
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	77.8 Ų