CAS 74568-07-3 Calix[4]arene, (contains ca. 8 Percent Chloroform)

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

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Catalog Number

ACM74568073-1

CAS Number

74568-07-3

Product Name

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

Structure

Category

Macrocycles

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

EC Number

616-117-0

Exact Mass

424.167459g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

calix(4)arene;p-sulphonatocalix(4)arene

Monoisotopic Mass

424.167459g/mol

Rotatable Bond Count

XLogP3

6.3

MSDS

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COA

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Spec Sheet

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