CAS
162364-72-9 Purity
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162364-72-9 Purity
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5-tert-Butyl methylisophthalate
CAS
16308-65-9
Catalog Number
ACM16308659
Category
Other Products
Molecular Weight
250.29
Molecular Formula
C14H18O4
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Specification
Synonyms
5-TERT-BUTYLBENZENE-1,3-BIS-METHYL CARBOXYLATE;5-TERT-BUTYL METHYLISOPHTHALATE;METHYL 5-TERT-BUTYL-ISOPHTHALATE DIESTER;5-Tetr-butyl methylisophthalate
What is the molecular formula of 5-tert-Butyl methylisophthalate?
The molecular formula is C14H18O4.
What is the molecular weight of 5-tert-Butyl methylisophthalate?
The molecular weight is 250.29 g/mol.
What is the IUPAC name of 5-tert-Butyl methylisophthalate?
The IUPAC name is dimethyl 5-tert-butylbenzene-1,3-dicarboxylate.
What is the InChI of 5-tert-Butyl methylisophthalate?
The InChI is InChI=1S/C14H18O4/c1-14(2,3)11-7-9(12(15)17-4)6-10(8-11)13(16)18-5/h6-8H,1-5H3.
What is the InChIKey of 5-tert-Butyl methylisophthalate?
The InChIKey is GLEMMBGHLUCOIN-UHFFFAOYSA-N.
What is the canonical SMILES of 5-tert-Butyl methylisophthalate?
The canonical SMILES is CC(C)(C)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC.
What is the CAS number of 5-tert-Butyl methylisophthalate?
The CAS number is 16308-65-9.
What is the molecular weight of 5-tert-Butyl methylisophthalate according to PubChem?
The molecular weight is 250.29 g/mol.
What is the XLogP3-AA value of 5-tert-Butyl methylisophthalate?
The XLogP3-AA value is 3.3.
Is 5-tert-Butyl methylisophthalate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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