CAS
97259-67-1 Purity
96%
97259-67-1 Purity
96%
Inquiry Basket
4-Dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
CAS
97259-72-8
Catalog Number
ACM97259728
Category
Other Products
Molecular Weight
342.518160 [g/mol]
Molecular Formula
C22H34N2O
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 306-435-5, CID3024799, 4-Dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, 97259-72-8
IUPAC Name
4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Canonical SMILES
CCCCCCCCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C
InChI Key
YVLZXJFEADROFR-UHFFFAOYSA-N
Boiling Point
476.6ºC at 760mmHg
Flash Point
242ºC
Density
1g/cm³
EC Number
306-435-5
Exact Mass
342.26700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3024799?
The molecular formula is C22H34N2O.
When was this compound created on PubChem?
The compound was created on August 8, 2005.
What is the IUPAC Name of this compound?
The IUPAC Name is 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the InChIKey of this compound?
The InChIKey is YVLZXJFEADROFR-UHFFFAOYSA-N.
What is the Canonical SMILES representation of this compound?
The Canonical SMILES representation is CCCCCCCCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C.
What is the molecular weight of this compound?
The molecular weight is 342.5 g/mol.
How many hydrogen bond donor counts are there in this compound?
There are 0 hydrogen bond donor counts.
What is the topological polar surface area of this compound?
The topological polar surface area is 32.7 Ų.
How many rotatable bond counts are there in this compound?
There are 12 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
![1-Amino-4-[3-[[2-(diethylamino)ethyl]sulfonyl]anilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid,potassium sa](https://resource.alfa-chemistry.com/structure/97259-67-1.gif)
![N-(2-Butoxyethyl)-N-ethyl-4-[(5-nitro-2-thiazolyl)azo]aniline](https://resource.alfa-chemistry.com/structure/97259-70-6.gif)
CAS
97259-70-6 Purity
96%
97259-70-6 Purity
96%
