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4-Pentylbenzoic acid

Catalog Number
ACM26311455
CAS Number
26311-45-5
Product Name
4-Pentylbenzoic acid
Structure
Category
Liquid Crystal (LC) Materials
Synonyms
Para-Pentylbenzoic Acid
IUPAC Name
4-pentylbenzoic acid
Molecular Weight
192.25
Molecular Formula
C12H16O2
Canonical SMILES
CCCCCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChI Key
CWYNKKGQJYAHQG-UHFFFAOYSA-N
Boiling Point
261 ºC
Melting Point
85-90 ºC
Purity
0.98
Density
1.043 g/ml
Appearance
White crystalline powder
Complexity
169
Covalently-Bonded Unit Count
1
EC Number
247-607-9
Exact Mass
192.11503g/mol
Formal Charge
0
Heavy Atom Count
14
Monoisotopic Mass
192.11503g/mol
NSC Number
169024
Rotatable Bond Count
5
UNII
ET3KL92DDG
XLogP3
4.5
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