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Calix[4]arene (contains ca. 8% Chloroform)

Catalog Number
ACM74568073-2
Product Name
Calix[4]arene (contains ca. 8% Chloroform)
Structure
CAS
74568-07-3
Category
Supramolecular Host Materials
IUPAC Name
pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
Molecular Weight
424.5g/mol
Molecular Formula
C28H24O4
Canonical SMILES
C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O
InChI
InChI=1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2
InChI Key
YPNHVQZZPXPQOS-UHFFFAOYSA-N
Complexity
466
Covalently-Bonded Unit Count
1
EC Number
616-117-0
Exact Mass
424.167459g/mol
Formal Charge
0
Heavy Atom Count
32
MeSH Entry Terms
calix(4)arene;p-sulphonatocalix(4)arene
Monoisotopic Mass
424.167459g/mol
Rotatable Bond Count
0
XLogP3
6.3
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