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1860390-01-7 | 5-(3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1860390-01-7 Catalog No: AG01C8TA MDL No:MFCD31443253
Product Description
Catalog Number:
AG01C8TA
Chemical Name:
5-(3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1860390-01-7
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD31443253
IUPAC Name:
5-(3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C8H9NO2S/c10-5-7-1-2-8(12-7)9-3-6(11)4-9/h1-2,5-6,11H,3-4H2
InChI Key:
RWDHTEDDRZBUCR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CC(C1)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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