CAS
96910-73-5 Purity
96%
96910-73-5 Purity
96%
![(4R)-4-[2-[Di(propan-2-yl)amino]ethyl]-1-methyl-4-phenyl-5,6,7,8-tetrahydro-4ah-pyrido[2,1-f]pyrimidin-3-one](https://resource.alfa-chemistry.com/structure/96914-39-5.gif)
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(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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