4- (2,2-Dimethylpropoxy) benzaldehyde

CAT: 0127-OR1087248-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1087248-01Size:250 mg

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CAS Number

210694-04-5

Purity

95%

Smiles

O (CC (C) (C) C) c1ccc (C=O) cc1

Chemical Information

4-(2,2-Dimethylpropoxy)benzaldehyde

CAS Number	210694-04-5
PubChem CID	21756253
IUPAC Name	4-(2,2-dimethylpropoxy)benzaldehyde
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	173

SMILES

CC(C)(C)COC1=CC=C(C=C1)C=O

InChI

InChI=1S/C12H16O2/c1-12(2,3)9-14-11-6-4-10(8-13)5-7-11/h4-8H,9H2,1-3H3

InChIKey

IWSDOZWCBWRXEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 210694-04-5

CID: 21756253

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	173
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
OR1085276-01	2- (2,2-Dimethylpropoxy) benzaldehyde
OR1087575-01	Ethyl 4- (2,2-dimethylpropoxy) benzoate
OR1092140-01	1- (2,2-Dimethylpropoxy) -4-iodobenzene
OR1087489-01	Methyl 4- (2,2-dimethylpropoxy) benzoate
OR3262-01	4-[ (2,2-Dimethylpropoxy) sulphonyl]benzeneboronic acid
OR1095575	1-Bromo-4- (2,2-dimethylpropoxy) benzene
OR1093958-01	1-[4- (2,2-Dimethylpropoxy) phenyl]ethanone
OR957636	3- (2,2-Dimethylpropoxy) phenol
OR1087502-01	1-[4- (2,2-Dimethylpropoxy) phenyl]-1-propanone
OR1087589-01	2- (2,2-Dimethylpropoxy) benzoic acid

Catalog	Name
KAC80138-01	3- (2,2-Dimethylpropoxy) benzaldehyde
KIA69404-01	4- (2,2-Dimethylpropoxy) benzaldehyde
KCA35520-01	2- (2-Chloroethyl) benzaldehyde
sc-485498	2- (2-Hydroxyethoxy) benzaldehyde
YLC01744-01	2- (2-Cyclohexylethoxy) benzaldehyde
YAA14521-01	2- (2,2-Diethoxyethoxy) benzaldehyde
FB147428-01	2- (2-Bromoethyl) benzaldehyde
SDA63796-01	2- (2-Methoxyethoxy) benzaldehyde
RCA96119-01	2- (2-Nitrophenoxy) benzaldehyde
277991-01	2- (2-Furyl) benzaldehyde