CAS
94088-36-5 Purity
96%
94088-36-5 Purity
96%
![3,3'-[Carbonylbis[imino(5-ethoxy-2-methyl-4,1-phenylene)azo]]bis[6-chlorobenzenesulfonic]acid](https://resource.alfa-chemistry.com/structure/94088-49-0.gif)
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1-Methylethane-1,2-diyl cyclohexane-1,2-dicarboxylate
CAS
94088-40-1
Catalog Number
ACM94088401
Category
Other Products
Molecular Weight
212.24234
Molecular Formula
C19H28O8
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Specification
Synonyms
EINECS 302-040-7, 1-Methylethane-1,2-diyl cyclohexane-1,2-dicarboxylate, 94088-40-1
IUPAC Name
4-methyl-3,4,6a,7,8,9,10,10a-octahydrobenzo[f][1,4]dioxocine-1,6-dione
Canonical SMILES
CC1COC(=O)C2CCCCC2C(=O)O1
InChI Key
ORXDTHSDUGATMQ-UHFFFAOYSA-N
Boiling Point
571.4ºC at 760mmHg
Flash Point
199ºC
Density
g/cm³
EC Number
302-040-7
Exact Mass
212.10500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44146512?
The molecular formula is C11H16O4.
What are some synonyms for this compound?
Some synonyms include 1-Methylethane-1,2-diyl cyclohexane-1,2-dicarboxylate and 3-Methyloctahydro-2,5-benzodioxocine-1,6-dione.
When was this compound created in PubChem?
It was created on August 20, 2009.
What is the molecular weight of the compound?
The molecular weight is 212.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-methyl-3,4,6a,7,8,9,10,10a-octahydrobenzo[f][1,4]dioxocine-1,6-dione.
What is the InChI key of the compound?
The InChI key is ORXDTHSDUGATMQ-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 212.10485899 g/mol.
Does the compound have any defined atom stereocenter count?
No, the compound has 0 defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
94088-37-6 Purity
96%
94088-37-6 Purity
96%
