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1855833-50-9 | 4-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS No: 1855833-50-9 Catalog No: AG01C8VC MDL No:MFCD31443316
Product Description
Catalog Number:
AG01C8VC
Chemical Name:
4-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS Number:
1855833-50-9
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443316
IUPAC Name:
4-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-8-9(5-13)2-3-12(8)10-4-11(6-14)15-7-10/h4,6-9,13H,2-3,5H2,1H3
InChI Key:
NGGIMBQJXMIPMA-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1C)c1csc(c1)C=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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