Benserazide Impurity 8

CAT: 1299-RM-B191808-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191808-02Size:25 mg

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CAS Number

58343-12-7

Synonyms

4,5,6-trihydroxyisophthalaldehyde

Molecular Formula

C8H6O5

Molecular Weight

182.13

Target Alternative Name

Benserazide

Product Name Synonym

4,5,6-trihydroxyisophthalaldehyde

Chemical Information

4,5,6-Trihydroxybenzene-1,3-dicarbaldehyde

CAS Number	58343-12-7
PubChem CID	12412933
IUPAC Name	4,5,6-trihydroxybenzene-1,3-dicarbaldehyde
Molecular Formula	C8H6O5
Molecular Weight	182.13
XLogP	0.9
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	185

SMILES

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

InChI

InChI=1S/C8H6O5/c9-2-4-1-5(3-10)7(12)8(13)6(4)11/h1-3,11-13H

InChIKey

RUJNFDVEPQRMOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58343-12-7

CID: 12412933

Formula: C8H6O5

MW: 182.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.13
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.02152329
Monoisotopic Mass	182.02152329
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185
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