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4-Pentylphenyl 4-methylbenzoate

Catalog Number
ACM50649597
Product Name
4-Pentylphenyl 4-methylbenzoate
Structure
CAS
50649-59-7
Category
Liquid Crystal (LC) Materials
Synonyms
4-Pentylphenyl-methyl-benzoate
IUPAC Name
(4-pentylphenyl) 4-methylbenzoate
Molecular Weight
282.4g/mol
Molecular Formula
C19H22O2
SMILES
CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
InChIKey
OFNFLSYTTLXGBM-UHFFFAOYSA-N
Melting Point
34-38 °C
Purity
97%
Appearance
White to yellow powder
EC Number
256-683-2
Status
0
Complexity
297
Formal Charge
0
Exact Mass
282.16198g/mol
Monoisotopic Mass
282.16198g/mol
XLogP3
6.1
Covalently-Bonded Unit Count
1
Heavy Atom Count
21
Rotatable Bond Count
7
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