CAS 1886010-85-0 4,4',4'',4'''-[(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetrakis(methylene)]tetrakis-Benzoic acid

NAVIGATION

4,4',4'',4'''-[(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetrakis(methylene)]tetrakis-Benzoic acid

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Catalog Number

ACM1886010850

CAS Number

1886010-85-0

Product Name

4,4',4'',4'''-[(1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)tetrakis(methylene)]tetrakis-Benzoic acid

Category

Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand

IUPAC Name

4-[[4,8,11-tris[(4-carboxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzoic acid

Molecular Weight

736.9g/mol

Molecular Formula

C42H48N4O8

InChI

InChI=1S/C42H48N4O8/c47-39(48)35-11-3-31(4-12-35)27-43-19-1-20-44(28-32-5-13-36(14-6-32)40(49)50)24-26-46(30-34-9-17-38(18-10-34)42(53)54)22-2-21-45(25-23-43)29-33-7-15-37(16-8-33)41(51)52/h3-18H,1-2,19-30H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54)

InChI Key

IPVVCENEGHASDX-UHFFFAOYSA-N

Complexity

995

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

736.34721450g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

736.34721450g/mol

Rotatable Bond Count

Topological Polar Surface Area

162Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

-4.2

MSDS

Download MSDS

COA

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Spec Sheet

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