2,3,6-Trimethoxybenzaldehyde

CAT: 0926-FAA55686-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FAA55686-01Size:100 mg

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CAS Number

5556-86-5

MDL Number

MFCD06739499

Smiles

COC1=C (C (=C (C=C1) OC) OC) C=O

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

2,3,6-Trimethoxybenzaldehyde

CAS Number	5556-86-5
PubChem CID	79675
IUPAC Name	2,3,6-trimethoxybenzaldehyde
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	1.3
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	183

SMILES

COC1=C(C(=C(C=C1)OC)OC)C=O

InChI

InChI=1S/C10H12O4/c1-12-8-4-5-9(13-2)10(14-3)7(8)6-11/h4-6H,1-3H3

InChIKey

APHLYZNGFCQHCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5556-86-5

CID: 79675

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
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
FT59859-01	2,4,6-Trimethoxybenzaldehyde
FT38714-01	2,3,4-Trimethoxybenzaldehyde
FAA55684-01	2,3,5-Trimethoxybenzaldehyde
FT28524-01	3,4,5-Trimethoxybenzaldehyde
FT71343-01	2,4,5-Trimethoxybenzaldehyde
EWB59826-01	6- (2,6-Difluorophenyl) -2,3-dihydropyridazin-3-one
QBA18671-01	2,2',3,3',4,5',6,6'-Octachlorobiphenyl
FO01921-01	2,2',3,3',5,5',6,6'-Octafluorobiphenyl
IBA09117-01	2,2',3,3',4,4',6,6'-Octachlorobiphenyl
KAA41116-01	3,3-Dimethyl-1,2,3,6-tetrahydropyridine-2,6-dione

Catalog	Name
JH341047	2,3,6-trimethoxybenzaldehyde
291568-01	2,4,6-Trimethoxybenzaldehyde
OR1091763-01	2,4,6-trimethoxybenzaldehyde oxime
T25978-01	2,4,6-Trimethoxybenzaldehyde 97%
M13345-01	2,3,4-Trimethoxybenzaldehyde
MBS3603345-01	2, 3, 4-Trimethoxybenzaldehyde
sc-473952	2,3,5-Trimethoxybenzaldehyde
AR-B06626-01	2,4,6-Trimethoxybenzaldehyde dimethyl acetal
HY-Y1766R-01	2,3,4-Trimethoxybenzaldehyde (Standard)
T25973-01	2,3,4-Trimethoxybenzaldehyde 99%