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2-Ethynyl-6-methoxynaphthalene

2-Ethynyl-6-methoxynaphthalene - CAS 129113-00-4

Catalog:	BB006971
Product Name:	2-Ethynyl-6-methoxynaphthalene
CAS:	129113-00-4
Synonyms:	2-ethynyl-6-methoxynaphthalene

Technical Data

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Computed Properties

IUPAC Name:	2-ethynyl-6-methoxynaphthalene
Description:	2-Ethynyl-6-methoxynaphthalene (CAS# 129113-00-4) is a compound useful in organic synthesis.
Molecular Weight:	182.22
Molecular Formula:	C13H10O
Canonical SMILES:	COC1=CC2=C(C=C1)C=C(C=C2)C#C
InChI:	InChI=1S/C13H10O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h1,4-9H,2H3
InChI Key:	PATPLTUFXUXNDY-UHFFFAOYSA-N
Boiling Point:	313.2 °C at 760 mmHg
Melting Point:	110-114 °C (lit.)
Purity:	95 %
Density:	1.11 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00089947
LogP:	2.82970

Publication Number	Title	Priority Date
CN-113149827-A	Method for synthesizing alkynoic acid by using terminal alkyne and carbon dioxide	20210419
CN-112939982-A	Alkyne heterocyclic BTK inhibitor and preparation method and application thereof	20210121
CN-110627610-A	Method for synthesizing alkyne by catalyzing asymmetric cross coupling	20190829
CN-112390814-A	EP4 receptor antagonists in combination with PD-1 inhibitors for the treatment of cancer	20190815
WO-2021027567-A1	Combination of ep4 receptor antagonist and pd-1 inhibitor for cancer treatment	20190815

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P273, P280, P305+P351+P338, P310, P391, and P501
Signal Word:	Danger

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.073164938
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4