CAS
93981-79-4 Purity
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93981-79-4 Purity
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![[2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride](https://resource.alfa-chemistry.com/structure/93981-89-6.gif)
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Cycloocten-1-yl acetate
CAS
93981-85-2
Catalog Number
ACM93981852
Category
Other Products
Molecular Weight
168.232840 [g/mol]
Molecular Formula
C10H16O2
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Specification
Synonyms
Cyclooctenyl acetate, Cycloocten-1-yl acetate, MolPort-003-910-017, EINECS 301-173-8, ZINC00391018, CID6174495, 93981-85-2
IUPAC Name
[(1E)-cycloocten-1-yl] acetate
Canonical SMILES
CC(=O)OC1=CCCCCCC1
InChI Key
GCKRQQJBNDAYRT-JXMROGBWSA-N
Boiling Point
256.6ºC at 760mmHg
Flash Point
100.7ºC
Density
0.97g/cm³
EC Number
301-173-8
Exact Mass
168.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the IUPAC name of Cycloocten-1-yl acetate?
The IUPAC name of Cycloocten-1-yl acetate is [(1E)-cycloocten-1-yl] acetate.
What is the molecular formula of Cycloocten-1-yl acetate?
The molecular formula of Cycloocten-1-yl acetate is C10H16O2.
What is the molecular weight of Cycloocten-1-yl acetate?
The molecular weight of Cycloocten-1-yl acetate is 168.23 g/mol.
What is the InChI of Cycloocten-1-yl acetate?
The InChI of Cycloocten-1-yl acetate is InChI=1S/C10H16O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+.
What is the InChIKey of Cycloocten-1-yl acetate?
The InChIKey of Cycloocten-1-yl acetate is GCKRQQJBNDAYRT-JXMROGBWSA-N.
What is the canonical SMILES of Cycloocten-1-yl acetate?
The canonical SMILES of Cycloocten-1-yl acetate is CC(=O)OC1=CCCCCCC1.
How many hydrogen bond donor counts does Cycloocten-1-yl acetate have?
Cycloocten-1-yl acetate has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Cycloocten-1-yl acetate have?
Cycloocten-1-yl acetate has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does Cycloocten-1-yl acetate have?
Cycloocten-1-yl acetate has 2 rotatable bond counts.
Is Cycloocten-1-yl acetate a canonicalized compound?
Yes, Cycloocten-1-yl acetate is a canonicalized compound.
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