AG00DB6E

478336-92-4 | MIF Antagonist, ISO-1

AG00DB6E

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CAS Number	478336-92-4
Catalog Number	AG00DB6E(AGN-PC-0OAPUO)
Chemical Name	MIF Antagonist, ISO-1
IUPAC Name	methyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
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
InChI Key	AIXMJTYHQHQJLU-UHFFFAOYSA-N
MDL Number	MFCD22376813
Molecular Formula	C12H13NO4
Molecular Weight	235.2359
SMILES	O=C(OC)CC1CC(C2=CC=C(O)C=C2)=NO1
Synonyms	ISO-1, 478336-92-4, MIF Antagonist, ISO-1, methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate, CHEMBL210858, IN1228, 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester, Macrophage Migration Inhibitory Factor Antagonist, ISO-1, (S,R)-3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid, methyl ester, 4,5-DIHYDRO-3-(4-HYDROXYPHENYL)-5-ISOXAZOLEACETIC ACID, METHYL ESTER; ISO-1, methyl 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]acetate, MIF Antagonist, AC1O1KG2, SCHEMBL668287, GTPL9984, CTK8E8677, BCP15471, EX-A2475, 6540AB, BDBM50186426, MFCD22376813, AKOS016011552, CS-3224, US8618147, ISO-1, NCGC00379103-02, AK120645, AS-53744, HY-16692, AX8246061, RT-013903, MIF Antagonist; Macrophage Migration Inhibitory Factor, 3-(4-Hydroxyphenyl)-2-isoxazoline-5-acetic acid methyl ester, 3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic methyl ester, 4,5-Dihydro-3-(4-hydroxyphenyl)-5-isoxazoleacetic acid methyl ester, methyl 2-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-oxazolidin-5-yl]acetate, ISO-1 cpd, UNII-7QFF3Z0V9X, 7QFF3Z0V9X, ISO 1, C12H13NO4, CID6098948, C462499, Methyl2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate, 3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester, 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.084g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.239g/mol
Monoisotopic Mass	235.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	68.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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