loader
Please Wait
Applying Filters...

Evonik Evonik

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 2-Propenoic Acid 3-4-Cyanomethyl-Phenyl 1-1-D, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    2-Propenoic Acid 3-4-Cyanomethyl-Phenyl 1-1-D

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. Also known as: Schembl7593889, Dtxsid70700580, Ft-0664018
    Molecular Formula
    C15H17NO2
    Molecular Weight
    243.30  g/mol
    InChI Key
    UHGFRQZECZHVKY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 3-[4-(cyanomethyl)phenyl]prop-2-enoate
    2.1.2 InChI
    InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)9-8-12-4-6-13(7-5-12)10-11-16/h4-9H,10H2,1-3H3
    2.1.3 InChI Key
    UHGFRQZECZHVKY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)C=CC1=CC=C(C=C1)CC#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl7593889

    2. Dtxsid70700580

    3. Ft-0664018

    2.3 Create Date
    2011-10-30
    3 Chemical and Physical Properties
    Molecular Weight 243.30 g/mol
    Molecular Formula C15H17NO2
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass243.125928785 g/mol
    Monoisotopic Mass243.125928785 g/mol
    Topological Polar Surface Area50.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity348
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY