3-Hydroxycinnamic acid

Catalog	ACM588307
CAS	588-30-7
Structure
Synonyms	3-Hydroxy-3-(4-hydroxyphenyl)propionic acid
IUPAC Name	(E)-3-(3-Hydroxyphenyl)prop-2-enoic acid
Molecular Weight	164.16
Molecular Formula	C9H8O3
Canonical SMILES	C1=CC(=CC(=C1)O)C=CC(=O)O
InChI	InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChI Key	KKSDGJDHHZEWEP-SNAWJCMRSA-N
Boiling Point	373.2ºC at 760mmHg
Melting Point	193-195 °C
Flash Point	193.7ºC
Purity	95%+
Density	1.329g/cm³
Exact Mass	164.047344113
Isomeric SMILES	C1=CC(=CC(=C1)O)/C=C/C(=O)O
Monoisotopic Mass	164.047344113
Physical State	Solid
Topological Polar Surface Area	57.5 Ų