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1602230-89-6 | 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS No: 1602230-89-6 Catalog No: AG01C8RB MDL No:MFCD31443215
Product Description
Catalog Number:
AG01C8RB
Chemical Name:
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS Number:
1602230-89-6
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443215
IUPAC Name:
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-8-2-3-12(11(8)6-14)9-4-10(5-13)15-7-9/h4-5,7-8,11,14H,2-3,6H2,1H3
InChI Key:
YCIJBNYSUIQRIG-UHFFFAOYSA-N
SMILES:
OCC1C(C)CCN1c1csc(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:
1.8
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