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Salicylic Acid-d4

CAS No.:
78646-17-0
Catalog Number:
AG008M7W
Molecular Formula:
C7H2D4O3
Molecular Weight:
142.1454
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Product Description
Catalog Number:
AG008M7W
Chemical Name:
Salicylic Acid-d4
CAS Number:
78646-17-0
Molecular Formula:
C7H2D4O3
Molecular Weight:
142.1454
MDL Number:
MFCD06658892
IUPAC Name:
2,3,4,5-tetradeuterio-6-hydroxybenzoic acid
InChI:
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/i1D,2D,3D,4D
InChI Key:
YGSDEFSMJLZEOE-RHQRLBAQSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])C(=O)O)O
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.057g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
4  
Molecular Weight:
142.146g/mol
Monoisotopic Mass:
142.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties