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4-Octylbenzoic acid

Catalog Number
ACM3575313-1
Product Name
4-Octylbenzoic acid
Structure
CAS
3575-31-3
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-octylbenzoic acid
Molecular Weight
234.33g/mol
Molecular Formula
C15H22O2
SMILES
CCCCCCCCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)
InChIKey
ZQLDNJKHLQOJGE-UHFFFAOYSA-N
EC Number
222-692-5
NSC Number
173066
Status
0
Complexity
205
Formal Charge
0
Exact Mass
234.16198g/mol
Monoisotopic Mass
234.16198g/mol
XLogP3
6.1
UNII
PWH5I1J38K
Covalently-Bonded Unit Count
1
Heavy Atom Count
17
Rotatable Bond Count
8
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