4,7,10,13-tetraoxahexadecanedioic acid

4,7,10,13-tetraoxahexadecanedioic acid

CAS: 31127-85-2

Formula: C12H22O8

SMILES: OC(=O)CCOCCOCCOCCOCCC(O)=O

IUPAC: 4,7,10,13-tetraoxahexadecanedioic acid

InChI: InChI=1S/C12H22O8/c13-11(14)1-3-17-5-7-19-9-10-20-8-6-18-4-2-12(15)16/h1-10H2,(H,13,14)(H,15,16)

Composition: C (48.97%), H (7.54%), O (43.49%)

Molar Mass: 294.3

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	294.131467668
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	LGEVPLDBBPWJIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.71
Topological Polar Surface Area	111.52
Polarizability	26.9
Ring Count	0
Rotatable Bond Count	15

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