2,5-dimethoxy-3,4-dimethylbenzaldehyde

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CAS Number

86489-95-4

Molecular Formula

C11H14O3

Molecular Weight

194.22700

Chemical Information

2,5-Dimethoxy-3,4-dimethylbenzaldehyde

CAS Number	86489-95-4
PubChem CID	12629035
IUPAC Name	2,5-dimethoxy-3,4-dimethylbenzaldehyde
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

CC1=C(C=C(C(=C1C)OC)C=O)OC

InChI

InChI=1S/C11H14O3/c1-7-8(2)11(14-4)9(6-12)5-10(7)13-3/h5-6H,1-4H3

InChIKey

YVZDFMDBMFBWNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86489-95-4

CID: 12629035

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
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
JH169323	2-hydroxy-4,5-dimethylbenzaldehyde
JH35492	4,5-Dimethoxy-2-nitrobenzonitrile
JH192207	3,4-Dimethoxy-2'-hydroxychalcone
JH918884	2- (4- (5- (4,5-Dimethoxy-2-nitrophenyl) -2H-tetrazol-2-yl) phenethyl) -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
JH180856	2,2''-Dibenzothiazolyl-5,5''-bis (4-di (2-sulfoethyl) carbamoylphenyl) -3,3''- (3,3''-dimethoxy-4,4''-biphenyl
JH730585	5,7-dimethoxy-2-pyridin-3-ylchromen-4-one
JH920339	2,2'- (2,5-Dimethoxy-1,4-phenylene) bis (4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
JH445956	5-[ (4,5-dimethoxy-2-methylphenyl) methyl]pyrimidine-2,4-diamine
JH918321	2-Butanone, 1- (2,5-dimethoxy-4-methylphenyl) -
JH289506	2,5-Dimethoxy-β-nitrostyrene

Catalog	Name
FH66536-01	2-Hydroxy-4,6-dimethoxy-3,5-dimethylbenzaldehyde
PC1020421-01	3,4-difluoro-2,5-dimethylbenzaldehyde
OR923041-01	4- (2-Hydroxyethoxy) -3,5-dimethylbenzaldehyde
EEC96030-01	2- (Difluoromethoxy) -4,5-dimethylbenzaldehyde
PC1012722	2-fluoro-4,5-dimethylbenzaldehyde
OR1083854-01	4- (Benzyloxy) -2,5-dimethylbenzaldehyde
OR1097276-01	2-Benzyloxy-4,5-dimethylbenzaldehyde
FB69803-01	4-Bromo-3,5-dimethylbenzaldehyde
TYD-00578-01	4-Hydroxy-3,5-dimethylbenzaldehyde
OR1084706-01	4- (Methoxymethoxy) -3,5-dimethylbenzaldehyde