Cas no 126736-28-5 ( )
structure
Product Name:
CAS No:126736-28-5
MF:C9H7ClO3
MW:198.603081941605
CID:876428
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-carbonochloridoyl-3-methylbenzoic acid
- Benzoic acid, 4-(chlorocarbonyl)-3-methyl- (9CI)
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- Inchi： 1S/C9H7ClO3/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,12,13)
- InChI Key： WXTNFBRXECMYPM-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=C(C(Cl)=O)C(C)=C1
Computed Properties
- Exact Mass: 198.00841
Experimental Properties
- PSA: 54.37
Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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