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Acetovanillone-d3

CAS No.:
80404-23-5
Catalog Number:
AG00G55W
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G55W
Chemical Name:
Acetovanillone-d3
CAS Number:
80404-23-5
MDL Number:
MFCD28138140
IUPAC Name:
1-[4-hydroxy-2-(trideuteriomethoxy)phenyl]ethanone
InChI:
InChI=1S/C9H10O3/c1-6(10)8-4-3-7(11)5-9(8)12-2/h3-5,11H,1-2H3/i2D3
InChI Key:
XPHIPEXPAGCEBM-BMSJAHLVSA-N
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.082g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
169.194g/mol
Monoisotopic Mass:
169.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties