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1853067-23-8 | 5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1853067-23-8 Catalog No: AG01C8VX MDL No:MFCD31443338
Product Description
Catalog Number:
AG01C8VX
Chemical Name:
5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1853067-23-8
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD31443338
IUPAC Name:
5-(4-hydroxy-2-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-7-4-8(13)5-11(7)10-3-2-9(6-12)14-10/h2-3,6-8,13H,4-5H2,1H3
InChI Key:
CGMBVPFSIOYNPI-UHFFFAOYSA-N
SMILES:
CC1CC(CN1c1ccc(s1)C=O)O
Properties
Complexity:
224
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:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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