Carboxybenzene

CAS	65-85-0
Structure
Synonyms	Dracylic acid
IUPAC Name	Benzoic acid
Molecular Weight	122.12
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
Melting Point	121-125 °C
Flash Point	250 °F
Purity	98%+
Density	1.08 g/mL at 25 °C(lit.)
Exact Mass	122.03677943
Monoisotopic Mass	122.03677943
Physical State	Solid
Refractive Index	n20/D 1.504(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų