2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde - CAS 204905-77-1

Catalog:	BB076905
Product Name:	2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
CAS:	204905-77-1
Synonyms:	2H,3H-thieno[3,4-b][1,4]dioxine-5-carbaldehyde; 3,4-Ethylenedioxythiophene-2-carboxaldehyde; Thieno[3,4-b]-1,4-dioxin-5-carboxaldehyde, 2,3-dihydro-; 2,3-Dihydrothieno[3,4-b]-1,4-dioxin-5-carbaldehyde

Technical Data

IUPAC Name:	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
Molecular Weight:	170.19
Molecular Formula:	C7H6O3S
Canonical SMILES:	C1COC2=C(SC=C2O1)C=O
InChI:	InChI=1S/C7H6O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h3-4H,1-2H2
InChI Key:	GNVXYRDVJKJZTO-UHFFFAOYSA-N
Boiling Point:	311.2±42.0°C (Predicted)
Melting Point:	138°C
Purity:	98%
Density:	1.424±0.06 g/cm3 (Predicted)
Storage:	Store at 2-8°C under inert gas (nitrogen or argon)

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.00376522
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.00376522
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1