Home Other Building Blocks 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-

CAS No.:
187960-08-3
Catalog Number:
AG002GL6
Molecular Formula:
C15H6D4O5
Molecular Weight:
274.2615
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>4</sub>)
1 week
United States
$229
- +
5mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>4</sub>)
1 week
United States
$779
- +
Product Description
Catalog Number:
AG002GL6
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-
CAS Number:
187960-08-3
Molecular Formula:
C15H6D4O5
Molecular Weight:
274.2615
MDL Number:
MFCD03425571
IUPAC Name:
5,7-dihydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i1D,2D,3D,4D
InChI Key:
TZBJGXHYKVUXJN-RHQRLBAQSA-N
SMILES:
Oc1cc(O)c2c(c1)occ(c2=O)c1c([2H])c([2H])c(c(c1[2H])[2H])O
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.078g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
4  
Molecular Weight:
274.264g/mol
Monoisotopic Mass:
274.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties