4-Methylpelargonic acid

CAS	45019-28-1
Structure
Synonyms	4-Methylnonan-1-oic acid
IUPAC Name	4-Methylnonanoic acid
Molecular Weight	172.26
Canonical SMILES	CCCCCC(C)CCC(=O)O
InChI	InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key	WQTZCQIRCYSUBQ-UHFFFAOYSA-N
Boiling Point	292-293 °C
Flash Point	>230 °F
Purity	98%+
Density	0.871 g/mL at 25 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.4355(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų