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MIF Antagonist 500mg

CAT: 0628-A13631-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A13631-500Size:500 mg
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CAS Number
478336-92-4

Chemical Information

3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester

5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester is a member of phenols.

CAS Number478336-92-4
PubChem CID4633677
IUPAC Namemethyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
Molecular FormulaC12H13NO4
Molecular Weight235.24
XLogP1.3
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity308
SMILES
COC(=O)CC1CC(=NO1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
InChIKey
AIXMJTYHQHQJLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
CAS: 478336-92-4
CID: 4633677
Formula: C12H13NO4
MW: 235.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.24
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass235.08445790
Monoisotopic Mass235.08445790
Topological Polar Surface Area68.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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