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Kainic acid monohydrate 50mg

CAT: 0628-A13485-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13485-50Size:50 mg
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CAS Number
58002-62-3

Chemical Information

Kainic acid monohydrate

See also: alpha-Kainic acid (annotation moved to); Kainate (annotation moved to).

CAS Number58002-62-3
PubChem CID11954253
IUPAC Name(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid;hydrate
Molecular FormulaC10H17NO5
Molecular Weight231.25
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity300
SMILES
CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O.O
InChI
InChI=1S/C10H15NO4.H2O/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13;/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15);1H2/t6-,7+,9-;/m0./s1
InChIKey
FZNZRJRSYLQHLT-SLGZUKMRSA-N
Chemical Structure
2D Structure
2D structure of Kainic acid monohydrate
CAS: 58002-62-3
CID: 11954253
Formula: C10H17NO5
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.25
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass231.11067264
Monoisotopic Mass231.11067264
Topological Polar Surface Area87.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
N2886-10Kainic acid monohydrate
TRC-K445000-5MG(-)-Alpha-Kainic Acid Monohydrate
366892-01Kainic Acid Monohydrate (Digenin)
469418-01(-) -α-Kainic Acid Monohydrate discontinued
K0003-75(-) -Kainic Acid, Monohydrate (([2S- (2a,3ß,4ß) ]-2-Caroxy-4- (1-methylethenyl) -3-pyrrolidineacetic Acid)
MBS6029059-01(-)-Kainic Acid, Monohydrate (([2S-(2a,3beta,4beta)]-2-Caroxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid)
TRC-K135010-50MG(-)-a-Kainic Acid
abx076647-01Kainic acid
FR27527-01(+/-) -Kainic acid

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