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Structure

(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER

CAS
96914-67-9
Catalog Number
ACM96914679
Category
Other Products
Molecular Weight
167.20502
Molecular Formula
C9H13NO2

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Specification

Synonyms
(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER
What is the molecular formula of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The molecular formula is C9H13NO2.

What is the molecular weight of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The molecular weight is 167.20 g/mol.

What is the IUPAC name of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The IUPAC name is methyl (E)-2-cyano-5-methylhex-2-enoate.

What is the InChI of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The InChI is InChI=1S/C9H13NO2/c1-7(2)4-5-8(6-10)9(11)12-3/h5,7H,4H2,1-3H3/b8-5+.

What is the InChIKey of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The InChIKey is XQKFLKVOVNWEMQ-VMPITWQZSA-N.

What is the Canonical SMILES of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The Canonical SMILES is CC(C)CC=C(C#N)C(=O)OC.

How many hydrogen bond donor counts are there in (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

There are 0 hydrogen bond donor counts.

What is the topological polar surface area of (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

The topological polar surface area is 50.1 Ų.

How many defined bond stereocenter counts are there in (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER?

There is 1 defined bond stereocenter count.

Is (E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER considered canonicalized?

Yes, it is considered canonicalized.

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