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Home > Aldehydes > 1872932-22-3
1872932-22-3 | 2-methoxy-4-(piperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1872932-22-3 Catalog No: AG01C8M2 MDL No:MFCD31443163
Product Description
Catalog Number:
AG01C8M2
Chemical Name:
2-methoxy-4-(piperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1872932-22-3
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
MDL Number:
MFCD31443163
IUPAC Name:
2-methoxy-4-piperazin-1-yl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H13N3O2S/c1-14-9-11-8(7(6-13)15-9)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3
InChI Key:
AOXHURDKZQHDIZ-UHFFFAOYSA-N
SMILES:
COc1nc(c(s1)C=O)N1CCNCC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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