CAS
93941-66-3 Purity
96%
93941-66-3 Purity
96%
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1,2-Phenylene dihexanoate
CAS
93941-77-6
Catalog Number
ACM93941776
Category
Other Products
Molecular Weight
306.396640 [g/mol]
Molecular Formula
C18H26O4
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Specification
Synonyms
1,2-Phenylene dihexanoate, 93941-77-6, SureCN10407328, CTK5H4103, EINECS 300-526-3, AG-H-85252
IUPAC Name
(2-hexanoyloxyphenyl) hexanoate
Canonical SMILES
CCCCCC(=O)OC1=CC=CC=C1OC(=O)CCCCC
InChI Key
ROYLHNCAKTYWLD-UHFFFAOYSA-N
Boiling Point
404.1ºC at 760mmHg
Flash Point
194.1ºC
Density
1.032g/cm³
EC Number
300-526-3
Exact Mass
306.18300
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 1,2-Phenylene dihexanoate?
The molecular formula is C18H26O4.
When was the structure of 1,2-Phenylene dihexanoate created and last modified?
The structure was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC Name of 1,2-Phenylene dihexanoate?
The IUPAC Name is (2-hexanoyloxyphenyl) hexanoate.
What is the InChIKey of 1,2-Phenylene dihexanoate?
The InChIKey is ROYLHNCAKTYWLD-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,2-Phenylene dihexanoate?
The Canonical SMILES is CCCCCC(=O)OC1=CC=CC=C1OC(=O)CCCCC.
What is the molecular weight of 1,2-Phenylene dihexanoate?
The molecular weight is 306.4 g/mol.
How many hydrogen bond acceptors are present in 1,2-Phenylene dihexanoate?
There are 4 hydrogen bond acceptors.
What is the Rotatable Bond Count of 1,2-Phenylene dihexanoate?
The Rotatable Bond Count is 12.
What is the Topological Polar Surface Area of 1,2-Phenylene dihexanoate?
The Topological Polar Surface Area is 52.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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