4,7-dioxo-7-(thiophen-2-yl)heptanoic acid

4,7-dioxo-7-(thiophen-2-yl)heptanoic acid

CAS: 24090-18-4

Formula: C11H12O4S

SMILES: OC(=O)CCC(=O)CCC(=O)C1=CC=CS1

IUPAC: 4,7-dioxo-7-(thiophen-2-yl)heptanoic acid

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)

Composition: C (54.99%), H (5.03%), O (26.63%), S (13.34%)

Molar Mass: 240.27

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.04563004
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YVUGOXHLJJWQFP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.69
Topological Polar Surface Area	71.44
Polarizability	22.64
Ring Count	1
Rotatable Bond Count	7

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