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1860650-31-2 | 5-(3-hydroxy-4-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1860650-31-2 Catalog No: AG01C8WW MDL No:MFCD31443360
Product Description
Catalog Number:
AG01C8WW
Chemical Name:
5-(3-hydroxy-4-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1860650-31-2
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD31443360
IUPAC Name:
5-(3-hydroxy-4-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-7-4-11(5-9(7)13)10-3-2-8(6-12)14-10/h2-3,6-7,9,13H,4-5H2,1H3
InChI Key:
PFJROTIQSKZZGJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CC(C(C1)C)O
Properties
Complexity:
224
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:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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