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STOCK1N-37718 structure

STOCK1N-37718 structure

STOCK1N-37718

Iupac Name：5,6-dideuterio-1H-pyrimidine-2,4-dione

CAS No.: 24897-52-7

Molecular Weight：114.1

Modify Date.: 2022-02-23 11:31

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1. Names and Identifiers

1.1 Name: STOCK1N-37718
1.2 Synonyms: 2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid 2-{2-[(2-oxo-4-propylchromen-7-yl)oxy]acetamido}pentanoic acid AC1MSQW5 AKOS004937379 BG00697137 MCULE-4203806914 MOLPORT-002-517-897 n-{[(2-oxo-4-propyl-2h-chromen-7-yl)oxy]acetyl}norvaline STL460613

1.3 CAS No.: 24897-52-7

1.4 CID: 12212755

1.5 Molecular Formula: C₉H₁₆ClNOS (isomer)

1.6 Inchi: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i1D,2D

1.7 InChkey: ISAKRJDGNUQOIC-QDNHWIQGSA-N

1.8 Canonical Smiles: C1=CNC(=O)NC1=O

1.9 Isomers Smiles: [2H]C1=C(NC(=O)NC1=O)[2H]

2. Properties

3.1 Precise Quality: 114.04000

3.1 PSA: 65.72000

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data

Molecular Weight: 114.1g/mol
Molecular Formula: C_₉H_₁₆ClNOS
Compound Is Canonicalized: True
XLogP3-AA:
Exact Mass: 114.039830867
Monoisotopic Mass: 114.039830867
Complexity: 161
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 58.2
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 2
Covalently-Bonded Unit Count: 1

5. Recommended Suppliers

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Clearsynth Labs Limited

Tel:+91 - 22 - 26355700

2,4(1H,3H)-Pyrimidinedione-5,6-d2

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

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C/D/N Isotopes Inc.

Tel:+1-(514)-697-6254, 800-565-4696

URACIL-5,6-D2

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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Medical Isotopes Manufacturer

Manufacturer

Tel:1-(603) 635-1722

URACIL-5,6-D2

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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Directory

1. Names and Identifiers

1.5 Molecular Formula

1.8 Canonical Smiles

1.9 Isomers Smiles

2. Properties

3.1 Precise Quality

4.Synthesis Route

5.Computational chemical data

6.Recommended Suppliers