AG002W95

287194-40-5 | 2-Hydroxy-N-((1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide

AG002W95

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CAS Number	287194-40-5
Catalog Number	AG002W95(AGN-PC-0R4GVZ)
Chemical Name	2-Hydroxy-N-((1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide
IUPAC Name	2-hydroxy-N-[(1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
InChI	InChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m0/s1
InChI Key	IUOMATKBBPCLFR-TUAOUCFPSA-N
MDL Number	MFCD11100254
Molecular Formula	C13H11NO5
Molecular Weight	261.2301
SMILES	O[C@@H]1[C@@H]2O[C@@H]2C(=O)C=C1NC(=O)C1=C(O)C=CC=C1
Synonyms	dehydroxymethylepoxyquinomicin, DHMEQ cpd, DHMEQ, 287194-40-5, Dehydroxymethylepoxyquinomicin, (-)-DHMEQ, 2-Hydroxy-N-((1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide, (-)-DHM2EQ, 2-hydroxy-N-[(1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide, 287194-38-1, CHEMBL169300, SCHEMBL1671089, CTK8C1942, DTXSID00432307, IUOMATKBBPCLFR-TUAOUCFPSA-N, (-)-Dehydroxymethylepoxyquinomicin, ANW-67481, ZINC27991010, AKOS015924390, CS-5488, AJ-83380, HY-14645, AX8237305, TC-156226, Benzamide, 2-hydroxy-N-[(1S,2S,6S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-, DHMEQ cpd, DHM2EQ, DHM3EQ, D0Y9GA, NFkappaB inhibitors, Keio/Mercian, CID9881652, Epoxyquinomicin derivatives, Keio/Mercian, A16302, C464444, 2-hydroxy-N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide, Cis(+/-)-2-hydroxy-N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide, Trans-2-hydroxy-N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	261.064g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	261.233g/mol
Monoisotopic Mass	261.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	99.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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