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1-Ethynyl-4-methoxy-2-methylbenzene

1-Ethynyl-4-methoxy-2-methylbenzene - CAS 74331-69-4

Catalog:	BB035062
Product Name:	1-Ethynyl-4-methoxy-2-methylbenzene
CAS:	74331-69-4
Synonyms:	1-ethynyl-4-methoxy-2-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-ethynyl-4-methoxy-2-methylbenzene
Description:	1-Ethynyl-4-methoxy-2-methylbenzene (CAS# 74331-69-4) is a useful research chemical compound.
Molecular Weight:	146.19
Molecular Formula:	C10H10O
Canonical SMILES:	CC1=C(C=CC(=C1)OC)C#C
InChI:	InChI=1S/C10H10O/c1-4-9-5-6-10(11-3)7-8(9)2/h1,5-7H,2-3H3
InChI Key:	IETBNYUYILAKFK-UHFFFAOYSA-N
Boiling Point:	222.7 °C at 760 mmHg
Melting Point:	30-34 °C
Purity:	95 %
Density:	1 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD05865155
LogP:	1.98490

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
KR-20200111120-A	Novel naphthofuran derivatives and use thereof	20190318
WO-2020190034-A1	Novel naphthofuran derivative and use of same	20190318
KR-20200001859-A	2-arylpyridines compound, use thereof and preparation method thereof	20180628
KR-102124450-B1	2-arylpyridines compound, use thereof and preparation method thereof	20180628

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.073164938
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5