CAS
89942-63-2 Purity
---
89942-63-2 Purity
---
Inquiry Basket
4-(1-Pyrazolyl)-2-butanone
CAS
89943-03-3
Catalog Number
ACM89943033
Category
Other Products
Molecular Weight
138.1706
Molecular Formula
C7H10N2O
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
4-(1H-pyrazol-1-yl)butan-2-one, 4-(1-Pyrazolyl)-2-butanone, 89943-03-3, 2-Butanone,4-(1H-pyrazol-1-yl)-, AG-H-67644, ZINC00500141, AC1LJ0JX, ACMC-20c54r, SureCN412090, AC1Q5HC2, 4-pyrazol-1-ylbutan-2-one, 4-Pyrazol-1-yl-butan-2-one, AC1Q1K63, 4-(pyrazol-1-yl)butan-2-one, STOCK1S-54084, CTK5G7167, MolPort-001-792-266, ALBB-005855, AR-1F5624, STK503568
IUPAC Name
4-pyrazol-1-ylbutan-2-one
Canonical SMILES
CC(=O)CCN1C=CC=N1
InChI Key
YGSSCNXKGBWTBR-UHFFFAOYSA-N
Boiling Point
245.8ºC at 760 mmHg
Flash Point
102.5ºC
Density
1.07g/cm³
Appearance
clear orange liquid
Exact Mass
138.07900
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S24/25
What is the molecular formula of 4-(1-Pyrazolyl)-2-butanone?
The molecular formula of 4-(1-Pyrazolyl)-2-butanone is C7H10N2O.
What is the molecular weight of 4-(1-Pyrazolyl)-2-butanone?
The molecular weight of 4-(1-Pyrazolyl)-2-butanone is 138.17 g/mol.
What is the IUPAC name of 4-(1-Pyrazolyl)-2-butanone?
The IUPAC name of 4-(1-Pyrazolyl)-2-butanone is 4-pyrazol-1-ylbutan-2-one.
What is the InChI of 4-(1-Pyrazolyl)-2-butanone?
The InChI of 4-(1-Pyrazolyl)-2-butanone is InChI=1S/C7H10N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5H,3,6H2,1H3.
What is the InChIKey of 4-(1-Pyrazolyl)-2-butanone?
The InChIKey of 4-(1-Pyrazolyl)-2-butanone is YGSSCNXKGBWTBR-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-(1-Pyrazolyl)-2-butanone?
The Canonical SMILES of 4-(1-Pyrazolyl)-2-butanone is CC(=O)CCN1C=CC=N1.
What is the CAS number of 4-(1-Pyrazolyl)-2-butanone?
The CAS number of 4-(1-Pyrazolyl)-2-butanone is 89943-03-3.
How many hydrogen bond donor count does 4-(1-Pyrazolyl)-2-butanone have?
4-(1-Pyrazolyl)-2-butanone has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does 4-(1-Pyrazolyl)-2-butanone have?
4-(1-Pyrazolyl)-2-butanone has 2 hydrogen bond acceptor count.
How many rotatable bond count does 4-(1-Pyrazolyl)-2-butanone have?
4-(1-Pyrazolyl)-2-butanone has 3 rotatable bond count.
Recommended Products
![[1,2,4]Triazolo[1,5-a]pyridine,6-bromo-8-methyl-](https://resource.alfa-chemistry.com/structure/899429-04-0.gif)
