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294661-02-2 | Benzoic-2,4,5-d3 acid, 3,6-dihydroxy- (9CI)
CAS No: 294661-02-2 Catalog No: AG002YH7 MDL No:
Product Description
Catalog Number:
AG002YH7
Chemical Name:
Benzoic-2,4,5-d3 acid, 3,6-dihydroxy- (9CI)
CAS Number:
294661-02-2
IUPAC Name:
2,4,5-trideuterio-3,6-dihydroxybenzoic acid
InChI:
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/i1D,2D,3D
InChI Key:
WXTMDXOMEHJXQO-CBYSEHNBSA-N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
3
Molecular Weight:
157.139g/mol
Monoisotopic Mass:
157.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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