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4-(Heptyloxy)benzoic acid

Catalog Number
ACM15872421-1
Product Name
4-(Heptyloxy)benzoic acid
Structure
CAS
15872-42-1
Category
Liquid Crystal (LC) Building Blocks
Synonyms
4-n-Heptyloxybenzoic acid
IUPAC Name
4-heptoxybenzoic acid
Molecular Weight
236.3
Molecular Formula
C14H20O3
Canonical SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
InChI Key
ZRVIYEJYXIDATJ-UHFFFAOYSA-N
Boiling Point
361.8 ºC at 760mmHg
Melting Point
146 ºC
Purity
0.98
Density
1.05 g/ml
Appearance
White crystalline powder
Complexity
208
Covalently-Bonded Unit Count
1
EC Number
239-995-3
Exact Mass
236.141244g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
236.141244g/mol
NSC Number
73158
Rotatable Bond Count
8
UNII
BJ0YZC8ZY8
XLogP3
4.4
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