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4-(Hexyloxy)Benzoic Acid

Catalog Number
ACM1142398
Product Name
4-(Hexyloxy)Benzoic Acid
Structure
CAS
1142-39-8
Category
Liquid Crystal (LC) Materials
Synonyms
P-Hexoylbenzoic Acid
IUPAC Name
4-hexoxybenzoic acid
Molecular Weight
222.28
Molecular Formula
C13H18O3
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
InChI Key
HBQUXMZZODHFMJ-UHFFFAOYSA-N
Boiling Point
323.46 ºC
Melting Point
105-153 ºC
Purity
95%+
Density
1.085 g/ml
Complexity
195
Covalently-Bonded Unit Count
1
EC Number
214-534-9
Exact Mass
222.125594g/mol
Formal Charge
0
Heavy Atom Count
16
MeSH Entry Terms
4-hexyloxybenzoic acid
Monoisotopic Mass
222.125594g/mol
NSC Number
28663
Rotatable Bond Count
7
XLogP3
3.9
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