957013-84-2
(3AR)-6-ACETYL-5-(2-HYDROXYPHENYL)-3A-METHYLHEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE
Name
(3AR)-6-ACETYL-5-(2-HYDROXYPHENYL)-3A-METHYLHEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE
pro_formula
C15 H18 N2 O3
pro_molWeight
274.318
1Identification
【Name】
(3AR)-6-ACETYL-5-(2-HYDROXYPHENYL)-3A-METHYLHEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE
【CAS】
【MDL】
MFCD05670063
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H18 N2 O3
【pro_molWeight】
274.318
【Inchi】
InChI=1S/C15H18N2O3/c1-9(18)17-11(10-5-3-4-6-12(10)19)7-15(2)8-13(20)16-14(15)17/h3-6,11,14,19H,7-8H2,1-2H3,(H,16,20)/t11?,14?,15-/m1/s1
【InChIKey】
InChIKey=BRNDFZWNWNSMHC-WDIPEOLASA-N
【SMILES】
CC(=O)N1C(C[C@]2(C1NC(=O)C2)C)c3ccccc3O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(3AR)-6-ACETYL-5-(2-HYDROXYPHENYL)-3A-METHYLHEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE.cml
quick_release
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