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1934425-60-1

1934425-60-1 | 4-[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde

CAS No: 1934425-60-1 Catalog No: AG01C8Y7 MDL No:MFCD31443437

Product Description

Catalog Number:
AG01C8Y7
Chemical Name:
4-[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS Number:
1934425-60-1
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD31443437
IUPAC Name:
4-[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO3S/c12-4-7-2-11(3-10(7)14)8-1-9(5-13)15-6-8/h1,5-7,10,12,14H,2-4H2
InChI Key:
XGMYCQCRXRTTGR-UHFFFAOYSA-N
SMILES:
OCC1CN(CC1O)c1csc(c1)C=O

Properties

Complexity:
239  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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