CAS
94021-71-3 Purity
96%
94021-71-3 Purity
96%
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1-Undecanol,2-ethyl-,1-propanoate
CAS
94021-83-7
Catalog Number
ACM94021837
Category
Other Products
Molecular Weight
256.42408
Molecular Formula
C16H32O2
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Specification
Synonyms
2-Ethylundecyl propionate, EINECS 301-474-4, CID3023285, 94021-83-7
IUPAC Name
2-ethylundecyl propanoate
Canonical SMILES
CCCCCCCCCC(CC)COC(=O)CC
InChI Key
SMKJYIUVCPXQHB-UHFFFAOYSA-N
Boiling Point
296.8ºC at 760mmHg
Flash Point
134.7ºC
Density
0.864g/cm³
EC Number
301-474-4
Exact Mass
256.24000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Undecanol, 2-ethyl-, 1-propanoate?
The molecular formula is C16H32O2.
When was this compound created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 2-ethylundecyl propanoate.
What are the synonyms for 1-Undecanol, 2-ethyl-, 1-propanoate?
The synonyms include 2-Ethylundecyl propionate, 2-ethylundecyl propanoate, etc.
What is the molecular weight of this compound?
The molecular weight is 256.42 g/mol.
What is the Canonical SMILES of this compound?
The Canonical SMILES is CCCCCCCCCC(CC)COC(=O)CC.
What is the InChIKey of this compound?
The InChIKey is SMKJYIUVCPXQHB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
It has 0 hydrogen bond donor counts.
What is the Rotatable Bond Count for this compound?
The Rotatable Bond Count is 13.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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