Home Sulfos methyl 3-(pyrimidin-2-ylmethanesulfonyl)propanoate

methyl 3-(pyrimidin-2-ylmethanesulfonyl)propanoate

CAS No.:
1787856-48-7
Catalog Number:
AG01BGKI
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
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Product Description
Catalog Number:
AG01BGKI
Chemical Name:
methyl 3-(pyrimidin-2-ylmethanesulfonyl)propanoate
CAS Number:
1787856-48-7
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
MDL Number:
MFCD28125167
IUPAC Name:
methyl 3-(pyrimidin-2-ylmethylsulfonyl)propanoate
InChI:
InChI=1S/C9H12N2O4S/c1-15-9(12)3-6-16(13,14)7-8-10-4-2-5-11-8/h2,4-5H,3,6-7H2,1H3
InChI Key:
PBNJADGLKNPMFJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCS(=O)(=O)Cc1ncccn1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties