7-Methoxyisoquinoline - CAS 39989-39-4

Catalog:	BB024242
Product Name:	7-Methoxyisoquinoline
CAS:	39989-39-4
Synonyms:	7-methoxyisoquinoline; 7-methoxyisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	7-methoxyisoquinoline
Description:	7-Methoxyisoquinoline (CAS# 39989-39-4) is a useful research chemical.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	COC1=CC2=C(C=C1)C=CN=C2
InChI:	InChI=1S/C10H9NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-7H,1H3
InChI Key:	PNNUXNXZDJVGSB-UHFFFAOYSA-N
Boiling Point:	295.6 °C at 760 mmHg
Density:	1.13 g/cm³
LogP:	2.24340

Publication Number	Title	Priority Date
CN-113292573-A	Indolizine chromogen ketone compound with anti-tumor activity and preparation method and application thereof	20210609
CN-112552290-A	Amido bond-containing phenylfuran-2-tetrahydroisoquinoline compound and preparation method and application thereof	20201231
CN-112480076-A	Phenylpyridine compound and preparation and application thereof	20201209
CN-112480091-A	Furan ring 2, 5-disubstituted-tetrahydroisoquinoline compound and its preparation and use	20201209
CN-112480094-A	Thiophene 2, 5-disubstituted-tetrahydroisoquinoline compounds, and preparation and application thereof	20201209

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2