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97549-02-5 Purity
96%
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Propane-1,3-diyl isophthalate
CAS
97552-48-2
Catalog Number
ACM97552482
Category
Other Products
Molecular Weight
206.194700 [g/mol]
Molecular Formula
C19H16O8
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Specification
Synonyms
Propane-1,3-diyl isophthalate, EINECS 307-100-6, 97552-48-2
IUPAC Name
3,7-dioxabicyclo[7.3.1]trideca-1(13),9,11-triene-2,8-dione
Canonical SMILES
C1COC(=O)C2=CC(=CC=C2)C(=O)OC1
InChI Key
DLAPJRRJGUIWTG-UHFFFAOYSA-N
Boiling Point
631.5ºC at 760 mmHg
Flash Point
228.3ºC
EC Number
307-100-6
Exact Mass
206.05800
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Propane-1,3-diyl isophthalate?
The molecular formula of Propane-1,3-diyl isophthalate is C11H10O4.
When was Propane-1,3-diyl isophthalate created in PubChem?
Propane-1,3-diyl isophthalate was created in PubChem on August 20, 2009.
What is the molecular weight of Propane-1,3-diyl isophthalate?
The molecular weight of Propane-1,3-diyl isophthalate is 206.19 g/mol.
What is the IUPAC name of Propane-1,3-diyl isophthalate?
The IUPAC name of Propane-1,3-diyl isophthalate is 3,7-dioxabicyclo[7.3.1]trideca-1(13),9,11-triene-2,8-dione.
What is the InChI of Propane-1,3-diyl isophthalate?
The InChI of Propane-1,3-diyl isophthalate is InChI=1S/C11H10O4/c12-10-8-3-1-4-9(7-8)11(13)15-6-2-5-14-10/h1,3-4,7H,2,5-6H2.
How many hydrogen bond acceptor counts does Propane-1,3-diyl isophthalate have?
Propane-1,3-diyl isophthalate has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Propane-1,3-diyl isophthalate?
The topological polar surface area of Propane-1,3-diyl isophthalate is 52.6 Ų.
Is the compound of Propane-1,3-diyl isophthalate canonicalized?
Yes, the compound of Propane-1,3-diyl isophthalate is canonicalized.
How many rotatable bond counts does Propane-1,3-diyl isophthalate have?
Propane-1,3-diyl isophthalate has 0 rotatable bond counts.
What is the exact mass of Propane-1,3-diyl isophthalate?
The exact mass of Propane-1,3-diyl isophthalate is 206.05790880 g/mol.
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