3,6,9,12,15-pentaoxaheptadecanedioic acid

3,6,9,12,15-pentaoxaheptadecanedioic acid

CAS: 77855-75-5

Formula: C12H22O9

SMILES: OC(=O)COCCOCCOCCOCCOCC(O)=O

IUPAC: 3,6,9,12,15-pentaoxaheptadecanedioic acid

InChI: InChI=1S/C12H22O9/c13-11(14)9-20-7-5-18-3-1-17-2-4-19-6-8-21-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)

Composition: C (46.45%), H (7.15%), O (46.40%)

Molar Mass: 310.299

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	310.126382288
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
InChIKey	WIVPWKOWHCVJKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.36
Topological Polar Surface Area	120.75
Polarizability	27.67
Ring Count	0
Rotatable Bond Count	16

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