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1861339-27-6 | 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS No: 1861339-27-6 Catalog No: AG01C8HA MDL No:MFCD31443110
Product Description
Catalog Number:
AG01C8HA
Chemical Name:
4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS Number:
1861339-27-6
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443110
IUPAC Name:
4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-11(8-14)2-3-12(7-11)9-4-10(5-13)15-6-9/h4-6,14H,2-3,7-8H2,1H3
InChI Key:
QTDFQINYWSKUAI-UHFFFAOYSA-N
SMILES:
OCC1(C)CCN(C1)c1csc(c1)C=O
Properties
Complexity:
249
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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