CAS
98008-06-1 Purity
---
98008-06-1 Purity
---
Shopping basket
3-(2-Methyl-1H-imidazol-1-yl)butanoic acid
CAS
98009-61-1
Catalog Number
ACM98009611
Category
Other Products
Molecular Weight
168.193080 [g/mol]
Molecular Formula
C8H12N2O2
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
3-(2-methyl-1H-imidazol-1-yl)butanoic acid, 3-(2-Methyl-imidazol-1-yl)-butyric acid, 3-(2-methylimidazol-1-yl)butanoic acid, 3-(2-methylimidazolyl)butanoic acid, 98009-61-1, BAS 00341221, AC1MIT6Z, TimTec1_001709, STOCK1S-41619, CTK6A9710, MolPort-001-925-832, HMS1538N15, ALBB-000280, BBL007545, SBB046327, STK499954, AKOS000276460, AG-A-50591, MCULE-5000463002, NCGC00174145-01
IUPAC Name
3-(2-methylimidazol-1-yl)butanoic acid
Canonical SMILES
CC1=NC=CN1C(C)CC(=O)O
InChI Key
DUZTXWPXVXFETG-UHFFFAOYSA-N
Exact Mass
168.09000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 3101197?
The molecular formula is C8H12N2O2.
What is the molecular weight of the compound?
The molecular weight is 168.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(2-methylimidazol-1-yl)butanoic acid.
What is the InChIKey of the compound?
The InChIKey is DUZTXWPXVXFETG-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 55.1 Ų.
How many rotatable bond counts are there in the compound?
There are 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many defined atom stereocenter counts are there?
There are 0 defined atom stereocenter counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.2.
Recommended Products
CAS
98011-28-0 Purity
96%
98011-28-0 Purity
96%
![p-Isopropylcalix[8]arene](https://resource.alfa-chemistry.com/structure/98013-94-6.gif)
