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1020719-47-4 | Acetamide-2,2,2-d3, N-(3,4-dihydroxyphenyl)-
CAS No: 1020719-47-4 Catalog No: AG0006JG MDL No:
Product Description
Catalog Number:
AG0006JG
Chemical Name:
Acetamide-2,2,2-d3, N-(3,4-dihydroxyphenyl)-
CAS Number:
1020719-47-4
Molecular Formula:
C8H6D3NO3
Molecular Weight:
170.1804
IUPAC Name:
2,2,2-trideuterio-N-(3,4-dihydroxyphenyl)acetamide
InChI:
InChI=1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)/i1D3
InChI Key:
IPFBMHOMTSBTSU-FIBGUPNXSA-N
SMILES:
O=C(C([2H])([2H])[2H])Nc1ccc(c(c1)O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
3
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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