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Antimicrobial agent-2

CAT: 0013-GTR19188024-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188024-01Size:25 mg
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Description
Antimicrobial agent-2
CAS Number
2412592-33-5
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
CC=1C=2C (=CC (OCC (=NOC) C3=NC=CS3) =CC2) OC (=O) C1
Molecular Formula
C16H14N2O4S
Molecular Weight
330.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antimicrobial agent-2
CAS Number2412592-33-5
PubChem CID163408881
IUPAC Name7-[(2Z)-2-methoxyimino-2-(1,3-thiazol-2-yl)ethoxy]-4-methylchromen-2-one
Molecular FormulaC16H14N2O4S
Molecular Weight330.4
XLogP3.2
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity508
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OC/C(=N/OC)/C3=NC=CS3
InChI
InChI=1S/C16H14N2O4S/c1-10-7-15(19)22-14-8-11(3-4-12(10)14)21-9-13(18-20-2)16-17-5-6-23-16/h3-8H,9H2,1-2H3/b18-13-
InChIKey
WHYOGQVUBGTEFU-AQTBWJFISA-N
Chemical Structure
2D Structure
2D structure of Antimicrobial agent-2
CAS: 2412592-33-5
CID: 163408881
Formula: C16H14N2O4S
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass330.06742811
Monoisotopic Mass330.06742811
Topological Polar Surface Area98.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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