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1852462-20-4 | 4-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1852462-20-4 Catalog No: AG01C8WU MDL No:MFCD31443359
Product Description
Catalog Number:
AG01C8WU
Chemical Name:
4-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1852462-20-4
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443359
IUPAC Name:
4-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-11(2)7-12(4-10(11)14)8-3-9(5-13)15-6-8/h3,5-6,10,14H,4,7H2,1-2H3
InChI Key:
MGHRVYASZSCWKM-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CC(C(C1)(C)C)O
Properties
Complexity:
257
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:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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