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Lignin

CAT: 0203-20453-15Size: 500 gDry Ice: NoHazardous: No
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CAT#:0203-20453-15Size:500 g
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CAS Number
9005-53-2
Storage Conditions
Room Temperature
Grade
CP (Reagent)

Chemical Information

Lignin

The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed)

CAS Number9005-53-2
PubChem CID175586
IUPAC Namedisodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate
Molecular FormulaC18H13N3Na2O8S2
Molecular Weight509.4
Topological Polar Surface Area205
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity863
SMILES
CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
RLLNZXVKBYGKIP-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Lignin
CAS: 9005-53-2
CID: 175586
Formula: C18H13N3Na2O8S2
MW: 509.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass508.99394529
Monoisotopic Mass508.99394529
Topological Polar Surface Area205 Ų
Heavy Atom Count33
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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