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Dihydroaeruginoic acid

CAT: 0543-D052-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0543-D052-25MGSize:25 mg
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CAS Number
143209-04-5
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C10H9NO3S
Molecular Weight
223.3
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

(4S)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(+)-(S)-Dihydroaeruginoic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

CAS Number143209-04-5
PubChem CID135482070
IUPAC Name(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Molecular FormulaC10H9NO3S
Molecular Weight223.25
XLogP1.4
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity292
SMILES
C1[C@@H](N=C(S1)C2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1
InChIKey
CECDPVOEINSAQG-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of (4S)-2-(2-Hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CAS: 143209-04-5
CID: 135482070
Formula: C10H9NO3S
MW: 223.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.25
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass223.03031432
Monoisotopic Mass223.03031432
Topological Polar Surface Area95.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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