3,4-Dihydroxy-5-methoxybenzaldehyde

CAT: 0024-sc-232008Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-232008Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

3934-87-0

Chemical Information

3,4-Dihydroxy-5-methoxybenzaldehyde

5-Hydroxyvanillin has been reported in Pluchea indica with data available.

CAS Number	3934-87-0
PubChem CID	77535
IUPAC Name	3,4-dihydroxy-5-methoxybenzaldehyde
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	-0.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

COC1=CC(=CC(=C1O)O)C=O

InChI

InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3

InChIKey

RRKMWVISRMWBAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3934-87-0

CID: 77535

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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-474607	2,4-Dihydroxy-5-methoxybenzaldehyde
sc-276516	3,5-Difluoro-4-methoxybenzaldehyde
sc-313679	3,5-Dichloro-4-methoxybenzaldehyde
sc-347397	3,5-dibromo-4-methoxybenzaldehyde
sc-283919	3,5-Dimethyl-4-methoxybenzaldehyde
sc-347397A	3,5-dibromo-4-methoxybenzaldehyde
sc-276092	3-bromo-5-ethoxy-4-methoxybenzaldehyde
sc-346654A	3-chloro-4-isopropoxy-5-methoxybenzaldehyde
sc-312779	3-Chloro-4-ethoxy-5-methoxybenzaldehyde
sc-346654	3-chloro-4-isopropoxy-5-methoxybenzaldehyde

Catalog	Name
FD67425-01	3,4-Dihydroxy-5-methoxybenzaldehyde
D29652-01	3,4-Dihydroxy-5-methoxybenzaldehyde 95%
274243-01	2,4-Dihydroxy-5-methoxybenzaldehyde
FD67774-01	2,3-Dihydroxy-4-methoxybenzaldehyde
ICA92229-01	2,4-Dihydroxy-3-methoxybenzaldehyde
D29649-01	2,3-Dihydroxy-4-methoxybenzaldehyde 95%
230906-01	2,4-Dihydroxy-5-methoxybenzaldehyde 99+% (GC)
RBA72758	3,5-Dichloro-4-methoxybenzaldehyde
GKB19046	3,4-Difluoro-5-methoxybenzaldehyde
OR1087746-01	3,5-diisopropyl-4-methoxybenzaldehyde