CAS
93951-26-9 Purity
96%
93951-26-9 Purity
96%
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Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate
CAS
93951-36-1
Catalog Number
ACM93951361
Category
Other Products
Molecular Weight
554.674160 [g/mol]
Molecular Formula
C38H34O4
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Specification
Synonyms
EINECS 300-655-5, CID3023047, Bis((1-methyl-1-phenylethyl)phenyl) isophthalate, 93951-36-1
IUPAC Name
bis[2-(2-phenylpropan-2-yl)phenyl] benzene-1,3-dicarboxylate
Canonical SMILES
CC(C)(C1=CC=CC=C1)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)C(=O)OC4=CC=CC=C4C(C)(C)C5=CC=CC=C5
InChI Key
WDBRYIRIVBADDQ-UHFFFAOYSA-N
Boiling Point
714.7ºC at 760 mmHg
Flash Point
362.6ºC
Density
1.148g/cm³
EC Number
300-655-5
Exact Mass
554.24600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate?
Molecular Formula: C38H34O4
When was Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate created and modified?
Created: 2005-08-08
Modified: 2023-12-30
What is the IUPAC Name of Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate?
IUPAC Name: bis[2-(2-phenylpropan-2-yl)phenyl] benzene-1,3-dicarboxylate
What is the InChIKey of Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate?
InChIKey: WDBRYIRIVBADDQ-UHFFFAOYSA-N
How many hydrogen bond acceptors does Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate have?
Hydrogen Bond Acceptor Count: 4
What is the XLogP3-AA value for Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate?
XLogP3-AA: 10.3
What is the molecular weight of Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate?
Molecular Weight: 554.7 g/mol
How many rotatable bond counts does Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate have?
Rotatable Bond Count: 10
What is the topological polar surface area of Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate?
Topological Polar Surface Area: 52.6 Ų
Is Bis[(1-methyl-1-phenylethyl)phenyl]isophthalate a canonicalized compound?
Compound Is Canonicalized: Yes
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