7-Hydroxy-1,4-benzodioxan-6-carboxylic acid - CAS 197584-99-9

Name: 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB076903
Product Name:	7-Hydroxy-1,4-benzodioxan-6-carboxylic acid
CAS:	197584-99-9
Synonyms:	2,3-Dihydro-7-hydroxy-1,4-benzodioxin-6-carboxylic Acid; 7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid; 6-Hydroxy-7-carbonyl acid-1,4-Benzodioxane; 7-Hydroxy-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid; 1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-7-hydroxy-
Application:	Intermediate in the preparation of Benzoxazines.

Technical Data

IUPAC Name:	6-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
Molecular Weight:	196.16
Molecular Formula:	C9H8O5
Canonical SMILES:	C1COC2=C(O1)C=C(C(=C2)O)C(=O)O
InChI:	InChI=1S/C9H8O5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2,(H,11,12)
InChI Key:	IKCKXQPXYWBQSB-UHFFFAOYSA-N
Boiling Point:	390.7±42.0°C at 760 mmHg
Melting Point:	199-201°C
Purity:	≥95%
Density:	1.5±0.1 g/cm3
Solubility:	Soluble in Dimethylformamide, DMSO, Methanol
Appearance:	Off-white Solid
Storage:	Store at 2-8°C

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.03717335
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.03717335
Rotatable Bond Count:	1
Topological Polar Surface Area:	76
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4