Benzoic Acid

CAS	65-85-0
Structure
Synonyms	Benzenemethanoic acid
IUPAC Name	Benzoic acid
Molecular Weight	122.12
Molecular Formula	C7H6O2
Canonical SMILES	C1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key	WPYMKLBDIGXBTP-UHFFFAOYSA-N
Boiling Point	249 °C (lit.)
Melting Point	121-125 °C (lit.)
Purity	98%
Density	1.08 g/ml
pKa	4.19
pH	3.66 (1 mM solution)
Solubility in Water	2.9 g/L
Appearance	White to yellow-beige to orange powder