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24090-18-4

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Basic Information
CAS No.: 24090-18-4
Name: 4,7-DIOXO-7-THIOPHEN-2-YL-HEPTANOIC ACID
Molecular Structure:
Molecular Structure of 24090-18-4 (4,7-DIOXO-7-THIOPHEN-2-YL-HEPTANOIC ACID)
Formula: C11H12O4S
Molecular Weight: 239.2682
Synonyms: 4,7-dioxo-7-thiophen-2-ylheptanoic acid;
Density: 1.3 g/cm3
Boiling Point: 476.4 °C at 760 mmHg
Flash Point: 241.9 °C
Hazard Symbols: IrritantXi
PSA: 99.68000
LogP: 2.14490
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Specification

The 2-Thiopheneheptanoicacid, g,z-dioxo-, also known as CID2915935, is the organic compound with the formula C11H12O4S. With the CAS registry number 24090-18-4, its IUPAC name is 4,7-dioxo-7-thiophen-2-ylheptanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-Thiopheneheptanoicacid, g,z-dioxo-: (1)XLogP3-AA: 0.6; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 7; (5)Tautomer Count: 6; (6)Exact Mass: 240.04563; (7)MonoIsotopic Mass: 240.04563; (8)Topological Polar Surface Area: 99.7; (9)Heavy Atom Count: 16; (10)Formal Charge: 0; (11)Complexity: 288; (12)Undefined Bond StereoCenter Count: 0; (13)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(=O)CCC(=O)CCC(=O)O
(2)InChI: InChI=1S/C11H12O4S/c12-8(4-6-11(14)15)3-5-9(13)10-2-1-7-16-10/h1-2,7H,3-6H2,(H,14,15)
(3)InChIKey: YVUGOXHLJJWQFP-UHFFFAOYSA-N