CAS 100884-80-8 | Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid | CAS Number 100884-80-8

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100884-80-8 | Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid

CAS No: 100884-80-8 Catalog No: AG00034A MDL No:MFCD09907630

Product Description

Catalog Number:

AG00034A

Chemical Name:

Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid

CAS Number:

100884-80-8

Molecular Formula:

C14H16O8

Molecular Weight:

312.2720

MDL Number:

MFCD09907630

IUPAC Name:

adamantane-1,3,5,7-tetracarboxylic acid

InChI:

InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

InChI Key:

VWAIZPYLEYEEFK-UHFFFAOYSA-N

SMILES:

OC(=O)C12CC3(CC(C2)(CC(C1)(C3)C(=O)O)C(=O)O)C(=O)O

Properties

Complexity:

460

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.274g/mol

Monoisotopic Mass:

312.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

149A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9

Literature

Title	Journal
Multivalent cyclic RGD ligands: influence of linker lengths on receptor binding.	Nuclear medicine and biology 20101101
Modular chemistry: secondary building units as a basis for the design of highly porous and robust metal-organic carboxylate frameworks.	Accounts of chemical research 20010401