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1874471-46-1 | 4-(3-hydroxypyrrolidin-1-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
CAS No: 1874471-46-1 Catalog No: AG01C8M3 MDL No:MFCD31443164
Product Description
Catalog Number:
AG01C8M3
Chemical Name:
4-(3-hydroxypyrrolidin-1-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
CAS Number:
1874471-46-1
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD31443164
IUPAC Name:
4-(3-hydroxypyrrolidin-1-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H12N2O3S/c1-14-9-10-8(7(5-12)15-9)11-3-2-6(13)4-11/h5-6,13H,2-4H2,1H3
InChI Key:
IYKZIAJCMAONTE-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1N1CCC(C1)O)OC
Properties
Complexity:
241
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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