Benserazide Impurity 19

CAT: 1299-RM-B191819-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191819-02Size:25 mg

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CAS Number

2144-08-3

Synonyms

2,3,4-trihydroxybenzaldehyde

Molecular Formula

C7H6O4

Molecular Weight

154.12

Target Alternative Name

Benserazide

Product Name Synonym

2,3,4-trihydroxybenzaldehyde

Chemical Information

2,3,4-Trihydroxybenzaldehyde

2,3,4-Trihydroxybenzaldehyde has been reported in Pluchea sagittalis with data available.

CAS Number	2144-08-3
PubChem CID	75064
IUPAC Name	2,3,4-trihydroxybenzaldehyde
Molecular Formula	C7H6O4
Molecular Weight	154.12
XLogP	0.9
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	147

SMILES

C1=CC(=C(C(=C1C=O)O)O)O

InChI

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

InChIKey

CRPNQSVBEWWHIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2144-08-3

CID: 75064

Formula: C7H6O4

MW: 154.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.12
XLogP3	0.9
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	147
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