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    Also known as: 37763-23-8, Methyl d-(-)-4-hydroxy-phenylglycinate, Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate, Methyl d-(-)-4-hydroxyphenylglycinate, Schembl1143624, 37763-23-8 (free base)
    Molecular Formula
    C9H11NO3
    Molecular Weight
    181.19  g/mol
    InChI Key
    SZBDOFWNZVHVGR-MRVPVSSYSA-N
    CAS 37763-23-8
    1 2D Structure

    CAS 37763-23-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2R)-2-amino-2-(4-hydroxyphenyl)acetate
    2.1.2 InChI
    InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3/t8-/m1/s1
    2.1.3 InChI Key
    SZBDOFWNZVHVGR-MRVPVSSYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=C(C=C1)O)N
    2.1.5 Isomeric SMILES
    COC(=O)[C@@H](C1=CC=C(C=C1)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 37763-23-8

    2. Methyl D-(-)-4-hydroxy-phenylglycinate

    3. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate

    4. Methyl D-(-)-4-hydroxyphenylglycinate

    5. Schembl1143624

    6. 37763-23-8 (free Base)

    7. Mfcd07778088

    8. Zinc21992735

    9. Akos015920010

    10. Cs-w021142

    11. As-13487

    12. (r)-methyl2-amino-2-(4-hydroxyphenyl)acetate

    13. Methyl (r)-2-amino-2-(4-hydroxyphenyl)acetate

    14. 763m238

    15. Benzeneacetic Acid, A-amino-4-hydroxy-, Methyl Ester, (ar)-

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 181.19 g/mol
    Molecular Formula C9H11NO3
    XLogP30.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass181.07389321 g/mol
    Monoisotopic Mass181.07389321 g/mol
    Topological Polar Surface Area72.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity176
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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