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74495-72-0 | rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3
CAS No: 74495-72-0 Catalog No: AG008PXT MDL No:
Product Description
Catalog Number:
AG008PXT
Chemical Name:
rac 4-Hydroxy-3-methoxyphenylethylene Glycol-d3
CAS Number:
74495-72-0
Molecular Formula:
C9H9D3O4
Molecular Weight:
187.2077
IUPAC Name:
1-[4-hydroxy-3-(trideuteriomethoxy)phenyl]ethane-1,2-diol
InChI:
InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3/i1D3
InChI Key:
FBWPWWWZWKPJFL-FIBGUPNXSA-N
SMILES:
OCC(c1ccc(c(c1)OC([2H])([2H])[2H])O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.092g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
3
Molecular Weight:
187.209g/mol
Monoisotopic Mass:
187.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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