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89717-81-7 | 4'-Methoxypropiophenone-methyl-d3
CAS No: 89717-81-7 Catalog No: AG0042BL MDL No:
Product Description
Catalog Number:
AG0042BL
Chemical Name:
4'-Methoxypropiophenone-methyl-d3
CAS Number:
89717-81-7
Molecular Formula:
C10H9D3O2
Molecular Weight:
167.2196
IUPAC Name:
3,3,3-trideuterio-1-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3/i1D3
InChI Key:
ZJVAWPKTWVFKHG-FIBGUPNXSA-N
SMILES:
COc1ccc(cc1)C(=O)CC([2H])([2H])[2H]
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
167.222g/mol
Monoisotopic Mass:
167.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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