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4-Heptylbenzoic Acid

Catalog Number
ACM38350877-1
CAS Number
38350-87-7
Product Name
4-Heptylbenzoic Acid
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
4-heptylbenzoic acid
Molecular Weight
220.31g/mol
Molecular Formula
C14H20O2
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
InChI Key
VSUKEWPHURLYTK-UHFFFAOYSA-N
Complexity
193
Covalently-Bonded Unit Count
1
EC Number
253-894-1
Exact Mass
220.14633g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
220.14633g/mol
Rotatable Bond Count
7
XLogP3
5.6
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