CAS
91224-67-8 Purity
---
91224-67-8 Purity
---
Inquiry Basket
4-Cyanophenyl trans-4-(4-butylcyclohexyl)benzoate
CAS
91225-21-7
Catalog Number
ACM91225217
Category
Other Products
Molecular Weight
361.48
Molecular Formula
C24H27NO2
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
EINECS 293-824-7, CID3021774, 4-Cyanophenyl trans-4-(4-butylcyclohexyl)benzoate, 91225-21-7
IUPAC Name
(4-cyanophenyl) 4-(4-butylcyclohexyl)benzoate
InChI Key
QOUBQGAGYOVSAO-UHFFFAOYSA-N
Boiling Point
519.4ºC at 760mmHg
Flash Point
262.6ºC
Density
1.11g/cm³
Exact Mass
361.20400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C24H27NO2.
What is the molecular weight of the compound?
The molecular weight is 361.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (4-cyanophenyl) 4-(4-butylcyclohexyl)benzoate.
What is the InChIKey of the compound?
The InChIKey is QOUBQGAGYOVSAO-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N.
How many hydrogen bond donor counts are there in the compound?
There are 0 hydrogen bond donor counts.
How many rotatable bond counts are there in the compound?
There are 7 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 361.204179104 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 50.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
![2-[5-Dimethylaminomethyl-2-furanyl methyl thio] ethanamine hemifumarate](https://resource.alfa-chemistry.com/structure/91224-67-8.gif)
![2-Bromo-6-methylpyrazino[2,3-b]pyrazine](https://resource.alfa-chemistry.com/structure/91225-51-3.gif)
![2-(CHLOROMETHYL)-6-ETHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE](https://resource.alfa-chemistry.com/structure/91225-68-2.gif)
CAS
91225-68-2 Purity
---
91225-68-2 Purity
---
