1-Methoxyisochroman - CAS 34818-49-0

Catalog:	BB022303
Product Name:	1-Methoxyisochroman
CAS:	34818-49-0
Synonyms:	1-methoxy-3,4-dihydro-1H-2-benzopyran; 1-methoxy-3,4-dihydro-1H-isochromene

Technical Data

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Computed Properties

IUPAC Name:	1-methoxy-3,4-dihydro-1H-isochromene
Description:	1-Methoxyisochroman (CAS# 34818-49-0 ) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	COC1C2=CC=CC=C2CCO1
InChI:	InChI=1S/C10H12O2/c1-11-10-9-5-3-2-4-8(9)6-7-12-10/h2-5,10H,6-7H2,1H3
InChI Key:	WDJCAJQOXSPJJF-UHFFFAOYSA-N
LogP:	1.90430

Publication Number	Title	Priority Date
DE-4116147-A1	METHOD FOR PRODUCING 1-ALKOXYISOCHROMANS	19910517
EP-0513577-A1	Method for the preparation of 1-alkoxyisochromans	19910517
EP-0513577-B1	Method for the preparation of 1-alkoxyisochromans	19910517
DE-4134402-A1	1 (3 '- (CHLORO-PHENYL) -4- (HYDROXYMETHYL) -7,8-DI- (METHOXY) -5H-2,3-BENZODIAZEPINE AND ITS ACIDIC ACID SALT, PROCESS FOR THE PRODUCTION THEREOF AND THE MEDICAMENTS CONTAINING THEIR AND ITS USE AS WELL AS INTERMEDIATE PRODUCTS FOR THE MANUFACTURE OF THE FIRST	19901017
EP-0179377-A1	Process for the preparation of 1-alkoxyisochromanes, and 1-alkoxy alkylisochromanes	19841020

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6