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Home > Aldehydes > 1857003-53-2
1857003-53-2 | 4-(3-hydroxy-3-methylazetidin-1-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
CAS No: 1857003-53-2 Catalog No: AG01C8V6 MDL No:MFCD31443310
Product Description
Catalog Number:
AG01C8V6
Chemical Name:
4-(3-hydroxy-3-methylazetidin-1-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
CAS Number:
1857003-53-2
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD31443310
IUPAC Name:
4-(3-hydroxy-3-methylazetidin-1-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H12N2O3S/c1-9(13)4-11(5-9)7-6(3-12)15-8(10-7)14-2/h3,13H,4-5H2,1-2H3
InChI Key:
FLFHUTFHWBWCJF-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1N1CC(C1)(C)O)OC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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