(S)-1-(2,3-Dihydrobenzofuran-4-yl)ethane-1,2-diol - CAS 256472-68-1

Catalog:	BB018990
Product Name:	(S)-1-(2,3-Dihydrobenzofuran-4-yl)ethane-1,2-diol
CAS:	256472-68-1
Synonyms:	(1S)-1-(2,3-dihydrobenzofuran-4-yl)ethane-1,2-diol; (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol

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Computed Properties

IUPAC Name:	(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol
Description:	(S)-1-(2,3-Dihydrobenzofuran-4-yl)ethane-1,2-diol (CAS# 256472-68-1 ) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	C1COC2=CC=CC(=C21)C(CO)O
InChI:	InChI=1S/C10H12O3/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-3,9,11-12H,4-6H2/t9-/m1/s1
InChI Key:	GISHMZNHTLGCGK-SECBINFHSA-N
LogP:	0.64720

Publication Number	Title	Priority Date
CA-2969920-A1	Processes for the preparation of tasimelteon and intermediates thereof	20160608
US-2017355688-A1	Processes for the Preparation of Tasimelteon and Intermediates Thereof	20160608
US-9944616-B2	Processes for the preparation of Tasimelteon and intermediates thereof	20160608

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4