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PENTANOIC-D9 ACID

CAS No.:
115871-50-6
Catalog Number:
AG008SZW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008SZW
Chemical Name:
PENTANOIC-D9 ACID
CAS Number:
115871-50-6
MDL Number:
MFCD00145082
IUPAC Name:
2,2,3,3,4,4,5,5,5-nonadeuteriopentanoic acid
InChI:
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1D3,2D2,3D2,4D2
InChI Key:
NQPDZGIKBAWPEJ-YNSOAAEFSA-N
Properties
Complexity:
59.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.125g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
9  
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties