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Home > Aldehydes > 1934679-32-9
1934679-32-9 | 5-(6-hydroxy-1,4-oxazepan-4-yl)thiophene-2-carbaldehyde
CAS No: 1934679-32-9 Catalog No: AG01C8YK MDL No:MFCD31443449
Product Description
Catalog Number:
AG01C8YK
Chemical Name:
5-(6-hydroxy-1,4-oxazepan-4-yl)thiophene-2-carbaldehyde
CAS Number:
1934679-32-9
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD31443449
IUPAC Name:
5-(6-hydroxy-1,4-oxazepan-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO3S/c12-6-9-1-2-10(15-9)11-3-4-14-7-8(13)5-11/h1-2,6,8,13H,3-5,7H2
InChI Key:
RAXPAJWHWXYCRU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CCOCC(C1)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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