Benzyloxyacetone

CAT: 0024-sc-227348Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227348Size:5 g

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CAS Number

22539-93-1

Chemical Information

1-(Benzyloxy)propan-2-one

CAS Number	22539-93-1
PubChem CID	3691284
IUPAC Name	1-phenylmethoxypropan-2-one
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	1.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	137

SMILES

CC(=O)COCC1=CC=CC=C1

InChI

InChI=1S/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey

YHMRKVGUSQWDGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22539-93-1

CID: 3691284

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	137
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
XAA53993	Benzyloxyacetone