4-Methoxy-3-methylpyridine - CAS 96609-78-8

Catalog:	BB041995
Product Name:	4-Methoxy-3-methylpyridine
CAS:	96609-78-8
Synonyms:	4-methoxy-3-methylpyridine; 4-methoxy-3-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-3-methylpyridine
Description:	4-Methoxy-3-methylpyridine (CAS# 96609-78-8 ) is a useful research chemical.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	CC1=C(C=CN=C1)OC
InChI:	InChI=1S/C7H9NO/c1-6-5-8-4-3-7(6)9-2/h3-5H,1-2H3
InChI Key:	NCBHMODQBDKRJC-UHFFFAOYSA-N
Boiling Point:	188.8 °C at 760 mmHg
Density:	1.001 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	1.39860

Publication Number	Title	Priority Date
WO-2021104256-A1	Heterocyclic derivative, pharmaceutical composition thereof and use thereof	20191125
WO-2021028935-A1	Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr)	20190812
WO-2020160180-A1	Compounds and uses thereof	20190129
WO-2020118066-A1	Combination therapies	20181205
WO-2020065614-A1	Monoacylglycerol lipase modulators	20180928

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2