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1020719-51-0 | Benzoic acid, 3-hydroxy-2-(methyl-d3)-
CAS No: 1020719-51-0 Catalog No: AG0006JC MDL No:
Product Description
Catalog Number:
AG0006JC
Chemical Name:
Benzoic acid, 3-hydroxy-2-(methyl-d3)-
CAS Number:
1020719-51-0
Molecular Formula:
C8H5D3O3
Molecular Weight:
155.1658
IUPAC Name:
3-hydroxy-2-(trideuteriomethyl)benzoic acid
InChI:
InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)/i1D3
InChI Key:
RIERSGULWXEJKL-FIBGUPNXSA-N
SMILES:
OC(=O)c1cccc(c1C([2H])([2H])[2H])O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
155.167g/mol
Monoisotopic Mass:
155.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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