5-(Hydroxymethyl)-6-iodo-1,3-benzodioxole - CAS 69048-76-6

Catalog:	BB033684
Product Name:	5-(Hydroxymethyl)-6-iodo-1,3-benzodioxole
CAS:	69048-76-6
Synonyms:	(6-iodo-1,3-benzodioxol-5-yl)methanol; (6-iodo-1,3-benzodioxol-5-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(6-iodo-1,3-benzodioxol-5-yl)methanol
Description:	5-(Hydroxymethyl)-6-iodo-1,3-benzodioxole (CAS# 69048-76-6 ) is a useful research chemical.
Molecular Weight:	278.04
Molecular Formula:	C8H7IO3
Canonical SMILES:	C1OC2=C(O1)C=C(C(=C2)CO)I
InChI:	InChI=1S/C8H7IO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2,10H,3-4H2
InChI Key:	ODGKHOUSPOCIMB-UHFFFAOYSA-N
Boiling Point:	357.4 °C at 760 mmHg
Density:	2.036 g/cm³
LogP:	1.51220

Publication Number	Title	Priority Date
KR-101713638-B1	Novel pyrrolo pyrimidine derivatives and composition for preventing or treating cancer comprising the same	20141118
KR-20160059366-A	Novel pyrrolo pyrimidine derivatives and composition for preventing or treating cancer comprising the same	20141118
EP-2183221-A1	New compounds as hsp90 inhibitors	20070712
US-2010240656-A1	Compounds as hsp90 inhibitors	20070712
WO-2009007399-A1	New compounds as hsp90 inhibitors	20070712

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Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.94399
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.94399
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5