AC1L5834

butane-1,3-diol;hexanedioic acid;nonanedioic acid;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

Also Known As: (C14-H20-O4.C9-H16-O4.C6-H10-O4.C4-H10-O2)x-|butane-1,3-diol; hexanedioic acid; nonanedioic acid; 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate|Nonanedioic acid, polymer with 1,3-butanediol, hexanedioic acid and 7-oxabicyclo(4.1.0)hept-3-ylmethyl 7-oxabicyclo(4.1.0)heptane-3-carboxylate|Nonanedioic acid, polymer with 1,3-butanediol, hexanedioic acid and 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate|Nonanedioic acid, polymer with 1,3-butanediol, hexanedioic acid and7-oxabicyclo(4.1.0)hept-3-ylmethyl 7-oxabicyclo(4.1.0)heptane-3-carboxylate

Molecular Formula	C33H56O14
Molecular Weight	676.367 g/mol
LogP	4.0165
Topological Polar Surface Area	241.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	19
Exact Mass	676.367
Monoisotopic Mass	676.367
Heavy Atoms	47
Complexity	645.0

Chemical Identifiers

CAS Number	66037-24-9
SMILES	CC(CCO)O.C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4.C(CCCC(=O)O)CCCC(=O)O.C(CCC(=O)O)CC(=O)O
InChIKey	YNQXORTWIBBXSC-UHFFFAOYSA-N