CAS
94138-96-2 Purity
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94138-96-2 Purity
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4-Cycloocten-1-yl butyrate
CAS
94139-01-2
Catalog Number
ACM94139012
Category
Other Products
Molecular Weight
196.286000 [g/mol]
Molecular Formula
C12H20O2
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Specification
Synonyms
4-Cycloocten-1-yl butyrate, EINECS 303-015-3, CID6366468, 94139-01-2
IUPAC Name
[(4Z)-cyclooct-4-en-1-yl] butanoate
Canonical SMILES
CCCC(=O)OC1CCCC=CCC1
InChI Key
XUEDLQFTUOWOOY-ARJAWSKDSA-N
Boiling Point
259.7ºC at 760mmHg
Flash Point
102.5ºC
Density
0.95g/cm³
EC Number
303-015-3
Exact Mass
196.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Cycloocten-1-yl butyrate?
The molecular formula of 4-Cycloocten-1-yl butyrate is C12H20O2.
What is the molecular weight of 4-Cycloocten-1-yl butyrate?
The molecular weight of 4-Cycloocten-1-yl butyrate is 196.29 g/mol.
What is the IUPAC name of 4-Cycloocten-1-yl butyrate?
The IUPAC name of 4-Cycloocten-1-yl butyrate is [(4Z)-cyclooct-4-en-1-yl] butanoate.
What is the InChI of 4-Cycloocten-1-yl butyrate?
The InChI of 4-Cycloocten-1-yl butyrate is InChI=1S/C12H20O2/c1-2-8-12(13)14-11-9-6-4-3-5-7-10-11/h3-4,11H,2,5-10H2,1H3/b4-3-.
What is the InChIKey of 4-Cycloocten-1-yl butyrate?
The InChIKey of 4-Cycloocten-1-yl butyrate is XUEDLQFTUOWOOY-ARJAWSKDSA-N.
What is the canonical SMILES of 4-Cycloocten-1-yl butyrate?
The canonical SMILES of 4-Cycloocten-1-yl butyrate is CCCC(=O)OC1CCCC=CCC1.
What is the isomeric SMILES of 4-Cycloocten-1-yl butyrate?
The isomeric SMILES of 4-Cycloocten-1-yl butyrate is CCCC(=O)OC1CCC/C=C\CC1.
What is the CAS number of 4-Cycloocten-1-yl butyrate?
The CAS number of 4-Cycloocten-1-yl butyrate is 94139-01-2.
What is the EC number of 4-Cycloocten-1-yl butyrate?
The EC number of 4-Cycloocten-1-yl butyrate is 303-015-3.
Is 4-Cycloocten-1-yl butyrate a canonicalized compound?
Yes, 4-Cycloocten-1-yl butyrate is a canonicalized compound according to PubChem.
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