2-Phenoxyacetaldehyde

CAT: 0127-OR1102373-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102373-02Size:100 mg

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CAS Number

2120-70-9

MDL Number

MFCD00134414

Purity

95%

Smiles

O=CCOC1=CC=CC=C1

Chemical Information

Phenoxyacetaldehyde

CAS Number	2120-70-9
PubChem CID	75033
IUPAC Name	2-phenoxyacetaldehyde
Molecular Formula	C8H8O2
Molecular Weight	136.15
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

C1=CC=C(C=C1)OCC=O

InChI

InChI=1S/C8H8O2/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2

InChIKey

XFFILAFLGDUMBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2120-70-9

CID: 75033

Formula: C8H8O2

MW: 136.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.15
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	136.052429494
Monoisotopic Mass	136.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.4
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
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PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
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PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
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PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene

Catalog	Name
FP165315-01	2-Phenoxyacetaldehyde
sc-236354	Phenoxyacetaldehyde dimethyl acetal
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