1-Ethynyl-3,5-dimethoxybenzene

Catalog Number	ACM171290521
CAS	171290-52-1
Structure
IUPAC Name	1-ethynyl-3,5-dimethoxybenzene
Synonyms	171290-52-1;1-Ethynyl-3,5-dimethoxybenzene;3,5-Dimethoxyphenylacetylene;3,5-Dimethoxyphenyl acetylene;Benzene, 1-ethynyl-3,5-dimethoxy-;1-Ethylnyl-3,5-dimethoxybenzene;MFCD03839985;1-ETHYNYL-3,5-DIMETHOXYBENZENE;3,5-Dimethoxyphenylacetylene;1-ethynyl-3,5-dimethoxy-benzene;Benzene,1-ethynyl-3,5-dimethoxy-;3,5-dimethoxyethynylbenzene;3.5-dimethoxyphenylacetylene;SCHEMBL711441;1,3-Dimethoxy-5-ethynylbenzene;1-ethynyl 3,5-dimethoxybenzene;DTXSID70405341;1-Ethynyl-3,5-(dimethoxy)benzene;ACT02982;BCP10916;ZINC2513045;ANW-47073;AKOS005067753;AM84602;CM14005;CS-W005480;1-ETHYNYL-3 5-DIMETHOXYBENZENE;AK-49477;AS-18157;SY050709;AB0022803;DB-012628;E1175;FT-0652046;W3736;1-ETHYNYL-3 5-DIMETHOXYBENZENE 98;1-Ethynyl-3,5-dimethoxybenzene, 98% (CP);S-4716;Q-102454
Molecular Weight	162.18g/mol
Molecular Formula	C10H10O2
Canonical SMILES	COC1=CC(=CC(=C1)C#C)OC
InChI	InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3
InChI Key	HUSBBWQIJMRKLI-UHFFFAOYSA-N
Complexity	168
Covalently-Bonded Unit Count	1
Exact Mass	162.068079557g/mol
Hazard Statements	H225-H315-H319-H335
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Monoisotopic Mass	162.068079557g/mol
Rotatable Bond Count	3
Symbol	GHS02
Topological Polar Surface Area	18.5Å²
X Log P3	2.1

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