2-tert-Butylbenzaldehyde

CAT: 0926-RAA35879-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RAA35879-01Size:50 mg

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CAS Number

16358-79-5

MDL Number

MFCD15527514

Smiles

CC (C) (C) C1=CC=CC=C1C=O

Molecular Formula

C11H14O

Molecular Weight

162.23 g/mol

Controlled

Chemical Information

2-tert-Butylbenzaldehyde

CAS Number	16358-79-5
PubChem CID	13184777
IUPAC Name	2-tert-butylbenzaldehyde
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	3.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

CC(C)(C)C1=CC=CC=C1C=O

InChI

InChI=1S/C11H14O/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-8H,1-3H3

InChIKey

TWQRQNJOSFBCJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16358-79-5

CID: 13184777

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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
FB55060-01	4-tert-Butylbenzaldehyde
WJA13977-01	2-Bromo-4-tert-butylbenzaldehyde
FB61819-01	4-Butylbenzaldehyde
IDA80380	4-Butylbenzaldehyde Diethyl Acetal
FCA66648-01	Tert-Butyl 2- (tert-butoxy) acetate
FB66207-01	2-tert-Butylphenazine
FA148170-01	2-tert-Amylanthraquinone
CEA22910	2-tert-Butyldimethylsilyloxyethanol
FT59848-01	2-tert-Butylaniline
FT172334-01	2-tert-butylfuran

Catalog	Name
266365-01	4-tert-Butylbenzaldehyde
OR938360-01	3-tert-Butylbenzaldehyde
T9538-01	3,5-Di-tert-butylbenzaldehyde
OR1093624-01	2- (benzyloxy) -3,5-di-tert-butylbenzaldehyde
233546-01	4-tert-Butylbenzaldehyde 98+% (TLC)
sc-226558	4-Butylbenzaldehyde
OR1085358-01	3-butylbenzaldehyde
OR1077382	4-Butylbenzaldehyde Diethyl Acetal
AQ A2 0001-01	3,5-ditert-butylbenzaldehyde
OR92297-01	Tert-Butyl 2- ((tert-butoxycarbonyl) amino) -2-cyanoacetate