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135302-13-5

Basic Information
CAS No.: 135302-13-5
Name: 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one
Article Data: 6
Cas Database
Molecular Structure:
Molecular Structure of 135302-13-5 (2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one)
Formula: C4H7N3O2
Molecular Weight: 129.118
Synonyms: 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one;5-Methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one;
Density: 1.42 g/cm3
PSA: 59.91000
LogP: -0.88300
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    Product Name: 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one CAS: 135302-13-5 MF: C4H7N3O2 MW: 129.12 EINECS: Product Categories: Mol File: 135302-13-5.mol 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one Structure

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Henan Kanbei Chemical Co., Ltd. is a modern high-tech chemical enterprise integrating R&D, production and sales. The company has strong technical strength, advanced equipment, stri

  •  Henan Kanbei Chemical Co.,LTD

    China (Mainland)  |  Contact Details

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  • 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one

  • Casno:

    135302-13-5

    2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one

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    High quality Application:Fenofibrate Intermediate

    Hangzhou Keying Chem Co., Ltd. Is a comprehensive enterprise, dedicated to the development, production and marketing of chemicals. As a technology innovative and service profession

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    Business Type:Lab/Research institutions

    Tel:+86-571-85378921

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Specification

The 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one with the CAS number 135302-13-5 is also called 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-. The IUPAC name is 3-methoxy-4-methyl-1H-1,2,4-triazol-5-one. Its molecular formula is C4H7N3O2. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

The properties of the 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one are: (1)ACD/LogP: -1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.32; (8)ACD/KOC (pH 7.4): 1.02; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.14 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 30.36 cm3; (15)Molar Volume: 90.4 cm3; (16)Polarizability: 12.03×10-24cm3; (17)Surface Tension: 47.5 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(\OC)=N/N1)C
(2)InChI: InChI=1/C4H7N3O2/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8)
(3)InChIKey: AMHDHUVBOKXALL-UHFFFAOYAD