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Home > Aldehydes > 126654-63-5
126654-63-5 | Thiazolo[3,2-a]indole-9-carboxaldehyde, 2,3-dihydro-3-hydroxy-3-methyl- (9CI)
CAS No: 126654-63-5 Catalog No: AG000T1U MDL No:
Product Description
Catalog Number:
AG000T1U
Chemical Name:
Thiazolo[3,2-a]indole-9-carboxaldehyde, 2,3-dihydro-3-hydroxy-3-methyl- (9CI)
CAS Number:
126654-63-5
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
1-hydroxy-1-methyl-2H-[1,3]thiazolo[3,2-a]indole-4-carbaldehyde
InChI:
InChI=1S/C12H11NO2S/c1-12(15)7-16-11-9(6-14)8-4-2-3-5-10(8)13(11)12/h2-6,15H,7H2,1H3
InChI Key:
ZIEFIDANMCIAOW-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccccc2n2c1SCC2(C)O
NSC Number:
638459
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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