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1856998-01-0 | 5-{1,4-diazabicyclo[3.2.1]octan-4-yl}thiophene-2-carbaldehyde
CAS No: 1856998-01-0 Catalog No: AG01C8H6 MDL No:MFCD31443106
Product Description
Catalog Number:
AG01C8H6
Chemical Name:
5-{1,4-diazabicyclo[3.2.1]octan-4-yl}thiophene-2-carbaldehyde
CAS Number:
1856998-01-0
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD31443106
IUPAC Name:
5-(1,4-diazabicyclo[3.2.1]octan-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c14-8-10-1-2-11(15-10)13-6-5-12-4-3-9(13)7-12/h1-2,8-9H,3-7H2
InChI Key:
JANZGSSPRJBXDL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CCN2CC1CC2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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