4-Butoxy-2-methylbenzaldehyde

CAT: 0127-OR1093078-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093078-01Size:250 mg

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CAS Number

60753-71-1

MDL Number

MFCD21800715

Purity

97%

Smiles

C1c (cc (c (c1) C=O) C) OCCCC

Chemical Information

4-Butoxy-2-methylbenzaldehyde

CAS Number	60753-71-1
PubChem CID	79117781
IUPAC Name	4-butoxy-2-methylbenzaldehyde
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	168

SMILES

CCCCOC1=CC(=C(C=C1)C=O)C

InChI

InChI=1S/C12H16O2/c1-3-4-7-14-12-6-5-11(9-13)10(2)8-12/h5-6,8-9H,3-4,7H2,1-2H3

InChIKey

IXFJKQSFPPWEJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60753-71-1

CID: 79117781

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	168
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
OR1088899	5-Butoxy-2-methylbenzaldehyde
PC1018640-01	2-Butoxy-3-fluoro-6-methylbenzaldehyde
OR1088588-01	3-Bromo-2-butoxy-5-methylbenzaldehyde
OR1096307	4-Iodo-2-methylbenzaldehyde
OR1094621-01	2- (cyclopropylmethoxy) -4-methylbenzaldehyde
OR1091532-01	4- (methoxymethyl) -2-methylbenzaldehyde
OR1099219	2-Ethoxy-4-methylbenzaldehyde
OR930554	4- (Diethylamino) -2-methylbenzaldehyde
PC5933-01	2-Fluoro-4-methylbenzaldehyde
OR30989-01	2-Chloro-4-methylbenzaldehyde

Catalog	Name
FH70789-01	4-Hydroxy-2-methylbenzaldehyde
FF69952-01	2-Fluoro-4-methylbenzaldehyde
sc-274523	2-Chloro-4-methylbenzaldehyde
sc-316283	4-Ethoxy-2-methylbenzaldehyde
sc-254169	2-Bromo-4-methylbenzaldehyde
FH70218-01	2-Hydroxy-4-methylbenzaldehyde
FF40254-01	4-Fluoro-2-methylbeNzaldehyde
418577-01	2-Methoxy-4-methylbenzaldehyde
sc-289577	4- (dimethylamino) -2-methylbenzaldehyde
sc-232810	4-Methoxy-2-methylbenzaldehyde