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Home > Aldehydes > 1566158-04-0
1566158-04-0 | 4-(1,4-OXAZEPAN-4-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1566158-04-0 Catalog No: AG01C8OR MDL No:MFCD26866471
Product Description
Catalog Number:
AG01C8OR
Chemical Name:
4-(1,4-OXAZEPAN-4-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1566158-04-0
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD26866471
IUPAC Name:
4-(1,4-oxazepan-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c12-7-10-6-9(8-14-10)11-2-1-4-13-5-3-11/h6-8H,1-5H2
InChI Key:
XSXZXMOHQOOIMC-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCOCCC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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