Propargyl Benzyl Ether

CAT: 0024-sc-477144Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-477144Size:500 mg

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CAS Number

4039-82-1

Chemical Information

((Prop-2-yn-1-yloxy)methyl)benzene

CAS Number	4039-82-1
PubChem CID	6917484
IUPAC Name	prop-2-ynoxymethylbenzene
Molecular Formula	C10H10O
Molecular Weight	146.19
XLogP	2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C#CCOCC1=CC=CC=C1

InChI

InChI=1S/C10H10O/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2

InChIKey

PAQVEXAFKDWGOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4039-82-1

CID: 6917484

Formula: C10H10O

MW: 146.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.19
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	146.073164938
Monoisotopic Mass	146.073164938
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-P762560-5G	Propargyl Benzyl Ether
OR1030603-01	Benzyl Propargyl Ether
GTR19265653-01	Propargyl Ether
TRC-M327303-100MG	Methyl Propargyl Ether
NAA61002	Phenyl Propargyl Ether
OR95760-01	Glycidyl Propargyl Ether
04618-52	Benzyl Ether
467192-01	Tert-Butyl Propargyl Ether
FAA65189-01	3-Methyl-phenyl propargyl ether
461544	Olodaterol Benzyl Ether