Glycolic Anhydride Diacetate - CAS 25769-61-3

Catalog:	BB063526
Product Name:	Glycolic Anhydride Diacetate
CAS:	25769-61-3
Synonyms:	2-(Acetyloxy)acetic Acid 1,1'-Anhydride; (Acetyloxy)acetic Acid Anhydride

Technical Data

IUPAC Name:	(2-acetyloxyacetyl) 2-acetyloxyacetate
Description:	Glycolic Anhydride Diacetate, is the product of reaction involving Lead tetraacetate as an oxidizing agent It is also an intermediate in the synthesis of Chrysogine, a metabolite of Penicillium chrysogenum and some related 2-substituted 4-(3H)-quinazolinones.
Molecular Weight:	218.16
Molecular Formula:	C8H10O7
Canonical SMILES:	CC(=O)OCC(=O)OC(=O)COC(=O)C
InChI:	InChI=1S/C8H10O7/c1-5(9)13-3-7(11)15-8(12)4-14-6(2)10/h3-4H2,1-2H3
InChI Key:	REFJMHFIKYREHC-UHFFFAOYSA-N
References:	Dimroth, O., et al: Berichte der Deutschen, 56B, 1375 (1923); Bergman, J., et al. Tetrahedron, 46, 1295 (1990).

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.04265265
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.04265265
Rotatable Bond Count:	8
Topological Polar Surface Area:	96Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3