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1566776-70-2 | 5-[3-(HYDROXYMETHYL)PYRROLIDIN-1-YL]THIOPHENE-2-CARBALDEHYDE
CAS No: 1566776-70-2 Catalog No: AG01C8M6 MDL No:MFCD26060545
Product Description
Catalog Number:
AG01C8M6
Chemical Name:
5-[3-(HYDROXYMETHYL)PYRROLIDIN-1-YL]THIOPHENE-2-CARBALDEHYDE
CAS Number:
1566776-70-2
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD26060545
IUPAC Name:
5-[3-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c12-6-8-3-4-11(5-8)10-2-1-9(7-13)14-10/h1-2,7-8,12H,3-6H2
InChI Key:
TWJBHMCCMJIZEB-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)c1ccc(s1)C=O
Properties
Complexity:
212
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:
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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