3,4-Dimethoxy-5-hydroxybenzaldehyde

CAT: 0024-sc-232012Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-232012Size:250 mg

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CAS Number

29865-90-5

Chemical Information

3,4-Dimethoxy-5-hydroxybenzaldehyde

3,4-Dimethoxy-5-hydroxybenzaldehyde has been reported in Zanthoxylum piperitum with data available.

CAS Number	29865-90-5
PubChem CID	141513
IUPAC Name	3-hydroxy-4,5-dimethoxybenzaldehyde
Molecular Formula	C9H10O4
Molecular Weight	182.17
XLogP	1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	171

SMILES

COC1=CC(=CC(=C1OC)O)C=O

InChI

InChI=1S/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H3

InChIKey

NVLTWXMZECWWPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29865-90-5

CID: 141513

Formula: C9H10O4

MW: 182.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.17
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.05790880
Monoisotopic Mass	182.05790880
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171
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
sc-225782	2,6-Dimethoxy-4-hydroxybenzaldehyde
sc-232072	3,5-Dibromo-4-hydroxybenzaldehyde
sc-276503	3,5-Dichloro-4-hydroxybenzaldehyde
sc-209715	3,5-Diiodo-4-hydroxybenzaldehyde
sc-266951	3,5-Difluoro-4-hydroxybenzaldehyde
sc-276154	3-chloro-5-ethoxy-4-hydroxybenzaldehyde
sc-260798A	3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
sc-216600	3,5-Diiodo-4-hydroxybenzaldehyde-13C6
sc-260798	3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
sc-254458	3-Chloro-5-fluoro-4-hydroxybenzaldehyde

Catalog	Name
FD71041-01	3,4-Dimethoxy-5-hydroxybenzaldehyde
abx184570-01	3,5-Dimethoxy-4-hydroxybenzaldehyde
49805673	Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde)
D34547-01	3,4-Dimethoxy-2-hydroxybenzaldehyde 97%
OR10496-01	4,6-Dimethoxy-2-hydroxybenzaldehyde
OR10495-01	2,6-Dimethoxy-4-hydroxybenzaldehyde
D34553-01	4,6-Dimethoxy-2-hydroxybenzaldehyde 98%
FD22129-01	3,5-Diiodo-4-hydroxybenzaldehyde
427470-01	3,5-Dimethyl-4-hydroxybenzaldehyde
RG-A262555-01	3,5-Dichloro-4-Hydroxybenzaldehyde