CAS
94022-53-4 Purity
96%
94022-53-4 Purity
96%
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Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester
CAS
94022-61-4
Catalog Number
ACM94022614
Category
Other Products
Molecular Weight
210.31258
Molecular Formula
C13H22O2
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Specification
Synonyms
EINECS 301-559-6, 1-Bicyclo(2.2.1)hept-2-ylethyl butyrate, 94022-61-4
IUPAC Name
1-(3-bicyclo[2.2.1]heptanyl)ethyl butanoate
SMILES
CCCC(=O)OC(C)C1CC2CCC1C2
InChI Key
KYZBDSLEMDHLBR-UHFFFAOYSA-N
Boiling Point
255.5ºC at 760mmHg
Flash Point
104.5ºC
Density
0.999g/cm³
EC Number
301-559-6
Exact Mass
210.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
The molecular formula is C13H22O2.
When was Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester created in PubChem?
It was created on 2009-08-20.
What is the IUPAC Name of Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
The IUPAC Name is 1-(2-bicyclo[2.2.1]heptanyl)ethyl butanoate.
What is the Canonical SMILES of Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
The Canonical SMILES is CCCC(=O)OC(C)C1CC2CCC1C2.
What is the molecular weight of Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
The molecular weight is 210.31 g/mol.
How many hydrogen bond acceptors are there in Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
There are 2 hydrogen bond acceptors.
What is the XLogP3-AA value of Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
The XLogP3-AA value is 3.7.
How many rotatable bond counts are there in Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
There are 5 rotatable bond counts.
Is Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of Butanoicacid,1-bicyclo[2.2.1]hept-2-ylethyl ester?
The topological polar surface area is 26.3 Ų.
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