Kermesic Acid - CAS 18499-92-8

Catalog:	BB053817
Product Name:	Kermesic Acid
CAS:	18499-92-8
Synonyms:	9,10-Dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic Acid; 1-Methyl-2-carboxy-3,5,6,8-tetrahydroxyanthraquinone; C.I. Natural Red 3; Kermes; Kermes (dye);
Application:	Principle constituent of kermes, one of the oldest known insect dyes. Used as brilliant scarlet dye.

Technical Data

IUPAC Name:	3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Molecular Weight:	330.25
Molecular Formula:	C16H10O8
Canonical SMILES:	CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)O)O
InChI:	InChI=1S/C16H10O8/c1-4-9-5(2-6(17)10(4)16(23)24)13(20)12-11(15(9)22)7(18)3-8(19)14(12)21/h2-3,17-19,21H,1H3,(H,23,24)
InChI Key:	CXORMDKZEUMQHX-UHFFFAOYSA-N
Boiling Point:	679.8±55.0 °C at 760 mmHg
Density:	1.8±0.1 g/cm3

Complexity:	574
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	330.03756727
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	330.03756727
Rotatable Bond Count:	1
Topological Polar Surface Area:	152
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3