2,3-dimethoxy-5-methylbenzaldehyde

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CAS Number

5701-86-0

MDL Number

MFCD07374405

Smiles

C1c (cc (c (c1C=O) OC) OC) C

Chemical Information

2,3-Dimethoxy-5-methylbenzaldehyde

CAS Number	5701-86-0
PubChem CID	11665495
IUPAC Name	2,3-dimethoxy-5-methylbenzaldehyde
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	1.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	170

SMILES

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

InChI

InChI=1S/C10H12O3/c1-7-4-8(6-11)10(13-3)9(5-7)12-2/h4-6H,1-3H3

InChIKey

WTKPYPQAAVDBPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5701-86-0

CID: 11665495

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
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
OR76483-01	2,4-Dimethoxy-5-methylbenzaldehyde
OR918388-01	2,5-Dimethoxy-4-methylbenzaldehyde
OR94757-01	4,5-Dimethoxy-2-methylbenzaldehyde
OR1031040-01	3,5-Dimethoxy-4-methylbenzaldehyde
OR938299-01	2,4-Dimethoxy-3-methylbenzaldehyde
OR937014-01	2,6-Dimethoxy-4-methylbenzaldehyde
OR22049-01	2,4-Dimethoxy-6-methylbenzaldehyde
PC1010874-01	2,5-Difluoro-3-methylbenzaldehyde
OR1085189-01	3- (2-methoxyethoxy) -5-methylbenzaldehyde
OR1097127-01	3,5-Dichloro-2-methylbenzaldehyde

Catalog	Name
FAA70186	2,3-Dimethoxy-5-methylbenzaldehyde
TN9658-01	2,5-Dimethoxy-4-methylbenzaldehyde
BAA01127-01	3,5-dimethoxy-4-methylbenzaldehyde
FD67524-01	2,4-Dimethoxy-5-methylbenzaldehyde
HAA72162-01	4,5-Dimethoxy-2-methylbenzaldehyde
sc-230974	2,4-Dimethoxy-3-methylbenzaldehyde
HY-W703574-01	2,5-Dimethoxy-4-methylbenzaldehyde-d6
FD70948-01	2,6-Dimethoxy-4-methylbenzaldehyde
FD66741	2,4-Dimethoxy-6-methylbenzaldehyde
FD67991-01	2,6-Dimethoxy-4-methylbenzaldehyde oxime