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1858458-84-0 | 5-(3-cyclopropyl-3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1858458-84-0 Catalog No: AG01C8T7 MDL No:MFCD31443251
Product Description
Catalog Number:
AG01C8T7
Chemical Name:
5-(3-cyclopropyl-3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1858458-84-0
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
MDL Number:
MFCD31443251
IUPAC Name:
5-(3-cyclopropyl-3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H13NO2S/c13-5-9-3-4-10(15-9)12-6-11(14,7-12)8-1-2-8/h3-5,8,14H,1-2,6-7H2
InChI Key:
HMFMKEWSPNZSQT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CC(C1)(O)C1CC1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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