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Home > Aldehydes > 1858645-81-4
1858645-81-4 | 5-(3-ethyl-3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1858645-81-4 Catalog No: AG01C8U9 MDL No:MFCD31443283
Product Description
Catalog Number:
AG01C8U9
Chemical Name:
5-(3-ethyl-3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1858645-81-4
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD31443283
IUPAC Name:
5-(3-ethyl-3-hydroxyazetidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-2-10(13)6-11(7-10)9-4-3-8(5-12)14-9/h3-5,13H,2,6-7H2,1H3
InChI Key:
IMMWLEHJVVBHBD-UHFFFAOYSA-N
SMILES:
CCC1(O)CN(C1)c1ccc(s1)C=O
Properties
Complexity:
228
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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