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123892-38-6

123892-38-6 | 1H-Pyrrole-2-carboxaldehyde, 1-(methylsulfonyl)-

CAS No: 123892-38-6 Catalog No: AG000L6Z MDL No:MFCD03931540

Product Description

Catalog Number:
AG000L6Z
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-(methylsulfonyl)-
CAS Number:
123892-38-6
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD03931540
IUPAC Name:
1-methylsulfonylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C6H7NO3S/c1-11(9,10)7-4-2-3-6(7)5-8/h2-5H,1H3
InChI Key:
NHOBBIVFUQBEMI-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1S(=O)(=O)C

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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