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Home > Aldehydes > 1934442-05-3
1934442-05-3 | 5-{2-thia-5-azabicyclo[2.2.1]heptan-5-yl}furan-2-carbaldehyde
CAS No: 1934442-05-3 Catalog No: AG01C8YA MDL No:MFCD31443440
Product Description
Catalog Number:
AG01C8YA
Chemical Name:
5-{2-thia-5-azabicyclo[2.2.1]heptan-5-yl}furan-2-carbaldehyde
CAS Number:
1934442-05-3
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD31443440
IUPAC Name:
5-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H11NO2S/c12-5-8-1-2-10(13-8)11-4-9-3-7(11)6-14-9/h1-2,5,7,9H,3-4,6H2
InChI Key:
XSCLQYVAFRQLGA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CC2CC1CS2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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