4-Butylbenzaldehyde

CAT: 0024-sc-226558Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226558Size:5 g

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CAS Number

1200-14-2

Chemical Information

4-Butylbenzaldehyde

CAS Number	1200-14-2
PubChem CID	70988
IUPAC Name	4-butylbenzaldehyde
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	3.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	123

SMILES

CCCCC1=CC=C(C=C1)C=O

InChI

InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3

InChIKey

ARIREUPIXAKDAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1200-14-2

CID: 70988

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	123
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
sc-232991	4-tert-Butylbenzaldehyde
sc-254542	3,5-Di-tert-butylbenzaldehyde
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine
sc-262190A	4,4,4-Trifluorobutyraldehyde

Catalog	Name
FB61819-01	4-Butylbenzaldehyde
FB55060-01	4-tert-Butylbenzaldehyde
IDA80380	4-Butylbenzaldehyde Diethyl Acetal
OR1085358-01	3-butylbenzaldehyde
233546-01	4-tert-Butylbenzaldehyde 98+% (TLC)
WJA13977-01	2-Bromo-4-tert-butylbenzaldehyde
OR938360-01	3-tert-Butylbenzaldehyde
RAA35879-01	2-tert-Butylbenzaldehyde
AQ A2 0001-01	3,5-ditert-butylbenzaldehyde
M28747-01	3,5-Di-tert-butylbenzaldehyde