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Home > Aldehydes > 1858653-48-1
1858653-48-1 | 4-(3-hydroxy-3-methylazetidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1858653-48-1 Catalog No: AG01C8UI MDL No:MFCD31443291
Product Description
Catalog Number:
AG01C8UI
Chemical Name:
4-(3-hydroxy-3-methylazetidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1858653-48-1
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD31443291
IUPAC Name:
4-(3-hydroxy-3-methylazetidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H11NO2S/c1-9(12)5-10(6-9)7-2-8(3-11)13-4-7/h2-4,12H,5-6H2,1H3
InChI Key:
PBGQGVBZFDUIMF-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CC(C1)(C)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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