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4-(Decyloxy)benzoic Acid

Catalog Number
ACM5519233-1
Product Name
4-(Decyloxy)benzoic Acid
Structure
CAS
5519-23-3
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
4-decoxybenzoic acid
Molecular Weight
278.4g/mol
Molecular Formula
C17H26O3
Canonical SMILES
CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)
InChI Key
NZNICZRIRMGOFG-UHFFFAOYSA-N
Melting Point
113.5 °C
Complexity
245
Covalently-Bonded Unit Count
1
EC Number
611-238-5
Exact Mass
278.188195g/mol
Formal Charge
0
Heavy Atom Count
20
Log P
6.29 (LogP)
Monoisotopic Mass
278.188195g/mol
Rotatable Bond Count
11
XLogP3
6.1
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