Gallaldehyde

CAT: 0926-FG67969-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FG67969-04Size:25 g

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CAS Number

13677-79-7

Synonyms

3,4,5-Trihydroxybenzaldehyde

MDL Number

MFCD00003371

Smiles

C1=C (C=C (C (=C1O) O) O) C=O

Molecular Formula

C7H6O4

Molecular Weight

154.12 g/mol

Controlled

Chemical Information

3,4,5-Trihydroxybenzaldehyde

3,4,5-trihydroxybenzaldehyde has been reported in Lens culinaris, Geum japonicum, and other organisms with data available.

CAS Number	13677-79-7
PubChem CID	83651
IUPAC Name	3,4,5-trihydroxybenzaldehyde
Molecular Formula	C7H6O4
Molecular Weight	154.12
XLogP	0.6
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	135

SMILES

C1=C(C=C(C(=C1O)O)O)C=O

InChI

InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H

InChIKey

RGZHEOWNTDJLAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13677-79-7

CID: 83651

Formula: C7H6O4

MW: 154.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.12
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	154.02660867
Monoisotopic Mass	154.02660867
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135
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
G00393-01	Gallaldehyde hydrate 97%