536972-29-9
(S)-4-(2-HYDROXYETHYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Name
(S)-4-(2-HYDROXYETHYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Formula
C11 H13 N O2
MolWeight
191.229
1Identification
【Name】
(S)-4-(2-HYDROXYETHYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
【CAS】
【MDL】
MFCD12828344
【English Synonyms】
【Formula】
C11 H13 N O2
【MolWeight】
191.229
【Inchi】
InChI=1S/C11H13NO2/c13-6-5-8-7-12-11(14)10-4-2-1-3-9(8)10/h1-4,8,13H,5-7H2,(H,12,14)/t8-/m1/s1
【InChIKey】
InChIKey=URKZZBPVWBQHJY-MRVPVSSYSA-N
【SMILES】
c1ccc2c(c1)[C@@H](CNC2=O)CCO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-4-(2-HYDROXYETHYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE.cml
Quick Release
4-(7-METHYLPYRROLO[1,2-A]QUINOXALIN-5(4H)-YL)-4-OXOBUTANOIC ACID
4-(7-FLUOROPYRROLO[1,2-A]QUINOXALIN-5(4H)-YL)-4-OXOBUTANOIC ACID
4-(8-CHLOROPYRROLO[1,2-A]QUINOXALIN-5(4H)-YL)-4-OXOBUTANOIC ACID
4-[5-METHYL-4-(PHENOXYMETHYL)-1,3-OXAZOL-2-YL]BENZOIC ACID
4-(5-METHYL-4-[(4-PROPYLPHENOXY)METHYL]-1,3-OXAZOL-2-YL)BENZOIC ACID
4-(5-METHYL-4-[(3-METHYLPHENOXY)METHYL]-1,3-OXAZOL-2-YL)BENZOIC ACID
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4-(7-METHYLPYRROLO[1,2-A]QUINOXALIN-5(4H)-YL)-4-OXOBUTANOIC ACID
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4-[5-METHYL-4-(PHENOXYMETHYL)-1,3-OXAZOL-2-YL]BENZOIC ACID
4-(5-METHYL-4-[(4-PROPYLPHENOXY)METHYL]-1,3-OXAZOL-2-YL)BENZOIC ACID
4-(5-METHYL-4-[(3-METHYLPHENOXY)METHYL]-1,3-OXAZOL-2-YL)BENZOIC ACID