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1881640-20-5 | 5-(3-methoxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1881640-20-5 Catalog No: AG01C8M1 MDL No:MFCD31443162
Product Description
Catalog Number:
AG01C8M1
Chemical Name:
5-(3-methoxyazetidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1881640-20-5
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD31443162
IUPAC Name:
5-(3-methoxyazetidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H11NO2S/c1-12-7-4-10(5-7)9-3-2-8(6-11)13-9/h2-3,6-7H,4-5H2,1H3
InChI Key:
ICAWXHJZUVCQKQ-UHFFFAOYSA-N
SMILES:
COC1CN(C1)c1ccc(s1)C=O
Properties
Complexity:
194
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:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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