2,4-Diethoxy-M-tolualdehyde

CAT: 0127-OR1003246-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003246-01Size:250 mg

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CAS Number

162976-08-1

MDL Number

MFCD00192017

Purity

95%

Smiles

CCOc1ccc(c(c1C)OCC)C=O

Chemical Information

2,4-Diethoxy-m-tolualdehyde

CAS Number	162976-08-1
PubChem CID	688197
IUPAC Name	2,4-diethoxy-3-methylbenzaldehyde
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	2.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	193

SMILES

CCOC1=C(C(=C(C=C1)C=O)OCC)C

InChI

InChI=1S/C12H16O3/c1-4-14-11-7-6-10(8-13)12(9(11)3)15-5-2/h6-8H,4-5H2,1-3H3

InChIKey

NLDIABAZQRPFHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162976-08-1

CID: 688197

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
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
OR1011532-01	4-Dimethylamino-O-Tolualdehyde
PC1024412-01	1,2-diethoxy-4-fluorobenzene
OR13546	4,5-Diethoxy-2-nitrobenzonitrile
PC1018702-01	2,4-Diethoxy-3-fluorobenzaldehyde
PC1021819	3,4-diethoxy-2-fluorobenzaldehyde
PC1023490-01	1,4-Diethoxy-2-fluorobenzene
OR1102538-01	1,2-Diethoxy-4-nitrobenzene
OR1043555-01	4-NN-Bis (2-chloroethyl) amino-2-tolualdehyde
OR22590	4- (2,5-diethoxy-4-nitrophenyl) morpholine
PC1024994-01	1,5-Diethoxy-2,4-difluorobenzene

Catalog	Name
sc-215275	M-Tolualdehyde 2,4-dinitrophenylhydrazone
T40705	M-Tolualdehyde
HY-78086R-01	M-Tolualdehyde (Standard)
T14075	M-Tolualdehyde 97%
sc-257956	P-Tolualdehyde-2,4-DNPH
sc-215614	O-Tolualdehyde 2,4-DNPH
D37215	4-Dimethylamino-o-Tolualdehyde
167201	α-Tolualdehyde
VDA82588-01	3,4-Diethoxy-2-fluoroaniline
JFC42999-01	Ethyl 4,4-diethoxy-2,2-difluorobutanoate