3-Methoxy-2,4-dimethylbenzaldehyde

CAT: 0127-OR1085668-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1085668-01Size:250 mg

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CAS Number

1785094-53-2

MDL Number

MFCD24676732

Purity

97%

Smiles

C1 (c (ccc (c1C) C=O) C) OC

Chemical Information

3-Methoxy-2,4-dimethylbenzaldehyde

CAS Number	1785094-53-2
PubChem CID	18182977
IUPAC Name	3-methoxy-2,4-dimethylbenzaldehyde
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	156

SMILES

CC1=C(C(=C(C=C1)C=O)C)OC

InChI

InChI=1S/C10H12O2/c1-7-4-5-9(6-11)8(2)10(7)12-3/h4-6H,1-3H3

InChIKey

VCXUPEDTHIKZBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1785094-53-2

CID: 18182977

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
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
OR91601	2-Methoxy-4,6-dimethylbenzaldehyde
OR310809	4-Methoxy-2,6-dimethylbenzaldehyde
OR1092628-01	5-Methoxy-2,4-dimethylbenzaldehyde
OR938285-01	4-Methoxy-2,5-dimethylbenzaldehyde
OR930885-01	2-Methoxy-3,5-dimethylbenzaldehyde
OR1097238	3-methoxy-2,6-dimethylbenzaldehyde
OR1094243	3-Methoxy-2,5-dimethylbenzaldehyde
OR911450-01	2,4-Dimethylbenzaldehyde
OR1085538	3-Chloro-2,4-dimethylbenzaldehyde
OR1081641-01	4-isopropoxy-2,3-dimethylbenzaldehyde

Catalog	Name
LDA58231-01	2-Methoxy-4,5-dimethylbenzaldehyde
284487-01	2-Methoxy-3,5-dimethylbenzaldehyde
230490-01	2-Methoxy-3,5-dimethylbenzaldehyde ≥95% (NMR)
FD71225-01	3,4-Dimethylbenzaldehyde
FD29084-01	2,4-Dimethylbenzaldehyde
432321-01	4-Fluoro-2,3-dimethylbenzaldehyde
TCB28559-01	3-Bromo-2,4-dimethylbenzaldehyde
430888-01	4-Bromo-2,3-dimethylbenzaldehyde
272691-01	2,3-Dimethylbenzaldehyde
FD67274-01	3,4-Dimethylbenzaldehyde oxime