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1247221-30-2 | 5-(1-oxo-1lambda4-thiomorpholin-4-yl)furan-2-carbaldehyde
CAS No: 1247221-30-2 Catalog No: AG01C8IW MDL No:MFCD16686057
Product Description
Catalog Number:
AG01C8IW
Chemical Name:
5-(1-oxo-1lambda4-thiomorpholin-4-yl)furan-2-carbaldehyde
CAS Number:
1247221-30-2
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD16686057
IUPAC Name:
5-(1-oxo-1,4-thiazinan-4-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C9H11NO3S/c11-7-8-1-2-9(13-8)10-3-5-14(12)6-4-10/h1-2,7H,3-6H2
InChI Key:
PQVOTEIXEBVZSI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCS(=O)CC1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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