Brassilic acid

CAS	505-52-2
Structure
Synonyms	1,11-Undecanedicarboxylic acid
IUPAC Name	Tridecanedioic acid
Molecular Weight	244.33
Molecular Formula	C13H24O4
Canonical SMILES	C(CCCCCC(=O)O)CCCCCC(=O)O
InChI	InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChI Key	DXNCZXXFRKPEPY-UHFFFAOYSA-N
Boiling Point	415.5 °C
Melting Point	112-114 °C (lit.)
Purity	98%
Density	1.15 g/ml
Appearance	White to off-white solid
Exact Mass	244.16745924
Monoisotopic Mass	244.16745924
Physical State	Solid
Refractive Index	n20/D 1.4453(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	74.6 Ų