AG0037VF

4039-82-1 | Benzyl propargyl ether

AG0037VF

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CAS Number	4039-82-1
Catalog Number	AG0037VF(AGN-PC-0LVEMT)
Chemical Name	Benzyl propargyl ether
IUPAC Name	prop-2-ynoxymethylbenzene
InChI	InChI=1S/C10H10O/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2
InChI Key	PAQVEXAFKDWGOT-UHFFFAOYSA-N
MDL Number	MFCD00483987
Molecular Formula	C10H10O
Molecular Weight	146.1858
SMILES	C(C#C)OCC1=CC=CC=C1
Synonyms	Benzyl propargyl ether, 4039-82-1, benzylpropargyl ether, ((Prop-2-yn-1-yloxy)methyl)benzene, 1-benzyloxy-2-propyne, ((prop-2-ynyloxy)methyl)benzene, CMLDBU00003569, Benzene, [(2-propynyloxy)methyl]-, MFCD00483987, Benzyl propargyl ether, 97%, [(prop-2-ynyloxy)methyl]benzene, [(prop-2-yn-1-yloxy)methyl]benzene, propargylbenzyl ether, benzyloxy prop-2-yne, Propargyl Benzyl Ether, 3-benzyloxy-1-propyne, AC1OCE9A, prop-2-ynoxymethylbenzene, Prop-2-ynyloxymethyl-benzene, SCHEMBL470893, BENZYL 2-PROPYNYL ETHER, CTK4I3000, DTXSID50426059, PAQVEXAFKDWGOT-UHFFFAOYSA-N, ZINC4291231, AKOS025295297, Benzene,[(2-propyn-1-yloxy)methyl]-, SC-14312, TX-017441, FT-0690527, [(2-propyn-1-yloxy)methyl]Benzene, ZINC04291231, CID6917484,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.189g/mol
Monoisotopic Mass	146.073g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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