Trimethyl 1,3,5-benzenetricarboxylate - CAS 2672-58-4

Catalog:	BB019350
Product Name:	Trimethyl 1,3,5-benzenetricarboxylate
CAS:	2672-58-4
Synonyms:	trimethyl benzene-1,3,5-tricarboxylate

Technical Data

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Computed Properties

IUPAC Name:	trimethyl benzene-1,3,5-tricarboxylate
Description:	Trimethyl 1,3,5-benzenetricarboxylate (CAS# 2672-58-4) is a useful research chemical.
Molecular Weight:	252.22
Molecular Formula:	C12H12O6
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC
InChI:	InChI=1S/C12H12O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h4-6H,1-3H3
InChI Key:	RGCHNYAILFZUPL-UHFFFAOYSA-N
Boiling Point:	343.7 °C at 760 mmHg
Density:	1.241 g/cm³
MDL:	MFCD00008434
LogP:	1.04640

Publication Number	Title	Priority Date
CN-112500581-A	Nickel metal coordination polymer constructed based on 1,3, 5-tri (methoxy carboxyl) benzene and synthetic method thereof	20201208
CN-112619610-A	MOFs self-growth coating metal-based dehumidifying fin and preparation method and application thereof	20201201
CN-112194553-A	Method and device for separating carbon nonaarene mixture	20201104
CN-112250536-A	Method and device for separating carbon nonaarene mixture	20201104
CN-213895662-U	Device for separating carbon nonaarene mixture	20201104

PMID	Publication Date	Title	Journal
20485731	20100628	Solvent effect on the construction of two microporous yttrium-organic frameworks with high thermostability via in situ ligand hydrolysis	Dalton transactions (Cambridge, England : 2003)
16881652	20060809	MIL-96, a porous aluminum trimesate 3D structure constructed from a hexagonal network of 18-membered rings and mu3-oxo-centered trinuclear units	Journal of the American Chemical Society

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Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.0633881
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.0633881
Rotatable Bond Count:	6
Topological Polar Surface Area:	78.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5