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71989-93-0 | 2,4,6-Trihydroxybenzoic acid hydrate
CAS No: 71989-93-0 Catalog No: AG003FN8 MDL No:MFCD00149095
Product Description
Catalog Number:
AG003FN8
Chemical Name:
2,4,6-Trihydroxybenzoic acid hydrate
CAS Number:
71989-93-0
Molecular Formula:
C7H8O6
Molecular Weight:
188.1348
MDL Number:
MFCD00149095
IUPAC Name:
2,4,6-trihydroxybenzoic acid;hydrate
InChI:
InChI=1S/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2
InChI Key:
HWZIRFCGHAROOI-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)O)C(=O)O.O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
188.135g/mol
Monoisotopic Mass:
188.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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