Isochroman - CAS 493-05-0

Catalog:	BB026691
Product Name:	Isochroman
CAS:	493-05-0
Synonyms:	3,4-dihydro-1H-2-benzopyran; 3,4-dihydro-1H-isochromene

Technical Data

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Computed Properties

IUPAC Name:	3,4-dihydro-1H-isochromene
Description:	Isochroman (CAS# 493-05-0) is a mycotoxins that inhibits the growth of Bacillus thuringiensis and causes morphological abnormalities in the cells.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	C1COCC2=CC=CC=C21
InChI:	InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
InChI Key:	HEBMCVBCEDMUOF-UHFFFAOYSA-N
Boiling Point:	75 °C (4 mmHg)
Density:	1.067 g/cm³
LogP:	1.75930

Publication Number	Title	Priority Date
CN-113149360-A	Three-waste treatment unit of galaxolide production process	20210428
CN-113185487-A	Production process of Jiale musk	20210428
CN-113082300-A	Antibacterial and anticoagulant coating, preparation method and application thereof	20210406
CN-113061631-A	Isochroman derivative and enzymatic synthesis method and application thereof	20210331
CN-113045573-A	Probe compound resistant to carbapenem antibiotic germs and application	20210309

PMID	Publication Date	Title	Journal
22953749	20120921	Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination	Organic letters
22142205	20120120	Oxidative arylation of isochroman	The Journal of organic chemistry
22308046	20111115	Taxonomy of Penicillium section Citrina	Studies in mycology
21902275	20111104	Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms	The Journal of organic chemistry
21988178	20111102	Copper-catalyzed enantioselective additions to oxocarbenium ions: alkynylation of isochroman acetals	Journal of the American Chemical Society

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6