AC1Q5TUP

2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;terephthalic acid

Also Known As: (C9-H4-O5.C8-H6-O4.C5-H12-O2)x-|Neopentyl glycol, terephthalic acid, trimellitic anhydride polymer|Terephthalic acid, neopentyl glycol, trimellitic anhydride polymer|2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; terephthalic acid|1,4-Benzenedicarboxylic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid and 2,2-dimethyl-1,3-propanediol|2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; terephthalic acid|1,4-Benzenedicarboxylic acid, polymer with 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid and 2,3-dimethyl-1,3-propanediol

Molecular Formula	C22H22O11
Molecular Weight	462.1162 g/mol
LogP	1.7756
Topological Polar Surface Area	196.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	462.1162
Monoisotopic Mass	462.1162
Heavy Atoms	33
Complexity	522.0

Chemical Identifiers

CAS Number	45151-30-2
SMILES	CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
InChIKey	HGJHOWKWDTUWDU-UHFFFAOYSA-N