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ANTIPYRINE-D3

CAS No.:
65566-62-3
Catalog Number:
AG00EBU2
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EBU2
Chemical Name:
ANTIPYRINE-D3
CAS Number:
65566-62-3
MDL Number:
MFCD01074188
IUPAC Name:
5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one
InChI:
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3/i2D3
InChI Key:
VEQOALNAAJBPNY-BMSJAHLVSA-N
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.114g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.114g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties