CAS
94200-08-5 Purity
96%
94200-08-5 Purity
96%
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Butanoic acid,3-cyclohexylpropyl ester
CAS
94200-13-2
Catalog Number
ACM94200132
Category
Other Products
Molecular Weight
212.32846
Molecular Formula
C13H24O2
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Specification
Synonyms
3-Cyclohexylpropyl butyrate, EINECS 303-490-7, CID3023951, 94200-13-2
IUPAC Name
3-cyclohexylpropyl butanoate
Canonical SMILES
CCCC(=O)OCCCC1CCCCC1
InChI Key
VHCFMFPGCLEABB-UHFFFAOYSA-N
Boiling Point
265.1ºC at 760mmHg
Flash Point
111.2ºC
Density
0.923g/cm³
EC Number
303-490-7
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of butanoic acid, 3-cyclohexylpropyl ester?
The molecular formula is C13H24O2.
When was this compound created and last modified according to PubChem?
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 3-cyclohexylpropyl butanoate.
What is the InChI of this compound?
The InChI is InChI=1S/C13H24O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h12H,2-11H2,1H3.
What is the InChIKey of this compound?
The InChIKey is VHCFMFPGCLEABB-UHFFFAOYSA-N.
What is the Canonical SMILES of this compound?
The Canonical SMILES is CCCC(=O)OCCCC1CCCCC1.
What is the molecular weight of this compound?
The molecular weight is 212.33 g/mol.
How many hydrogen bond acceptor counts does this compound have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of this compound?
The topological polar surface area is 26.3 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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