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4-[(p-Anisylidene)amino]cinnamic Acid Butyl Ester, 98%

Catalog NumberACM16833173-2

CAS Number16833-17-3

CategoryLiquid Crystal (LC) Materials

4-[(p-Anisylidene)amino]cinnamic Acid Butyl Ester, 98%
IUPAC Name
butyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
Molecular Weight
337.4g/mol
Molecular Formula
C21H23NO3
Canonical SMILES
CCCCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C21H23NO3/c1-3-4-15-25-21(23)14-9-17-5-10-19(11-6-17)22-16-18-7-12-20(24-2)13-8-18/h5-14,16H,3-4,15H2,1-2H3/b14-9+,22-16?
InChI Key
CULYZFOOJBHBNM-CIZPVDQASA-N
Complexity
430
Covalently-Bonded Unit Count
1
Exact Mass
337.167794g/mol
Formal Charge
0
Heavy Atom Count
25
Monoisotopic Mass
337.167794g/mol
Rotatable Bond Count
9
XLogP3
4.7
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