1-Methyl-1H-imidazole-4-acetic acid ethyl ester

CAS

916792-95-5

Catalog Number

ACM916792955

Category

Other Products

Molecular Weight

168.193080 [g/mol]

Molecular Formula

C8H12N2O2

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

SCHEMBL14551489, DB-079146, 1-methyl-1H-Imidazole-4-acetic acid ethyl ester, 916792-95-5

IUPAC Name

ethyl 2-(1-methylimidazol-4-yl)acetate

Canonical SMILES

CCOC(=O)CC1=CN(C=N1)C

InChI Key

ZWILSHXSICOQDH-UHFFFAOYSA-N

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The molecular formula of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is C8H12N2O2.

What are the synonyms for 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The synonyms for 1-Methyl-1H-imidazole-4-acetic acid ethyl ester include Ethyl 2-(1-methyl-1H-imidazol-4-yl)acetate, 916792-95-5, ethyl 2-(1-methylimidazol-4-yl)acetate, and 1-methyl-1H-Imidazole-4-acetic acid ethyl ester.

What is the molecular weight of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The molecular weight of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is 168.19 g/mol.

What is the IUPAC name of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The IUPAC name of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is ethyl 2-(1-methylimidazol-4-yl)acetate.

What is the InChI of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The InChI of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is InChI=1S/C8H12N2O2/c1-3-12-8(11)4-7-5-10(2)6-9-7/h5-6H,3-4H2,1-2H3.

What is the InChIKey of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The InChIKey of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is ZWILSHXSICOQDH-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The canonical SMILES of 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is CCOC(=O)CC1=CN(C=N1)C.

What is the XLogP3-AA value for 1-Methyl-1H-imidazole-4-acetic acid ethyl ester?

The XLogP3-AA value for 1-Methyl-1H-imidazole-4-acetic acid ethyl ester is 0.2.

How many hydrogen bond donor counts does 1-Methyl-1H-imidazole-4-acetic acid ethyl ester have?

1-Methyl-1H-imidazole-4-acetic acid ethyl ester has 0 hydrogen bond donor counts.

How many rotatable bond counts does 1-Methyl-1H-imidazole-4-acetic acid ethyl ester have?

1-Methyl-1H-imidazole-4-acetic acid ethyl ester has 4 rotatable bond counts.