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    (6S)-4,6,7,8-tetrahydro-4-oxoPyrrolo[1,2-a]pyriMidine-6carboxylic acid manufacturers and suppliers on PharmaCompass

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    CAS 1190392-22-3

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    PharmaCompass
    CAS 1190392-22-3
    Also known as: 1190392-22-3, (6s)-4-oxo-7,8-dihydro-6h-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, (6s)-4,6,7,8-tetrahydro-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, Schembl11964114, Ac3146, Akos037631126
    Molecular Formula
    C8H8N2O3
    Molecular Weight
    180.16  g/mol
    InChI Key
    VBGNTNJINOCQNQ-YFKPBYRVSA-N
    1 2D Structure

    CAS 1190392-22-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H8N2O3/c11-7-3-4-9-6-2-1-5(8(12)13)10(6)7/h3-5H,1-2H2,(H,12,13)/t5-/m0/s1
    2.1.3 InChI Key
    VBGNTNJINOCQNQ-YFKPBYRVSA-N
    2.1.4 Canonical SMILES
    C1CC2=NC=CC(=O)N2C1C(=O)O
    2.1.5 Isomeric SMILES
    C1CC2=NC=CC(=O)N2[C@@H]1C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1190392-22-3

    2. (6s)-4-oxo-7,8-dihydro-6h-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    3. (6s)-4,6,7,8-tetrahydro-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    4. Schembl11964114

    5. Ac3146

    6. Akos037631126

    7. Zinc200989902

    8. Cs-0083435

    9. (6s)-4-oxo-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    10. (6s)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 180.16 g/mol
    Molecular Formula C8H8N2O3
    XLogP3-0.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area70
    Heavy Atom Count13
    Formal Charge0
    Complexity332
    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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      JieJie Group Co., Ltd. is a pharmaceutical and chemical enterprise for research and production, it was built in 2009. Our core business is custom synthesis and contract manufacturing for advanced and bulk APIs, Pharmaceutical intermediates, water-soluble polymers, and special chemicals, from gram to multi tons scale. The company's aim is to be one of the reliable enterprises with the fastest development in the medicine industry in China and to become an impactive medicine enterprise entering the international authority market in the world.
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