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Home > Aldehydes > 1934386-70-5
1934386-70-5 | 4-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS No: 1934386-70-5 Catalog No: AG01C8Y4 MDL No:MFCD29491346
Product Description
Catalog Number:
AG01C8Y4
Chemical Name:
4-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS Number:
1934386-70-5
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD29491346
IUPAC Name:
4-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO3S/c12-4-9-3-8(5-15-9)11-2-1-10(14,6-11)7-13/h3-5,13-14H,1-2,6-7H2
InChI Key:
JURVMFUGQAGUJR-UHFFFAOYSA-N
SMILES:
OCC1(O)CCN(C1)c1csc(c1)C=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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