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6099-90-7 | Benzene-1,3,5-triol dihydrate
CAS No: 6099-90-7 Catalog No: AG0035HD MDL No:MFCD00149090
Product Description
Catalog Number:
AG0035HD
Chemical Name:
Benzene-1,3,5-triol dihydrate
CAS Number:
6099-90-7
Molecular Formula:
C6H10O5
Molecular Weight:
162.1406
MDL Number:
MFCD00149090
IUPAC Name:
benzene-1,3,5-triol;dihydrate
InChI:
InChI=1S/C6H6O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h1-3,7-9H;2*1H2
InChI Key:
MPYXTIHPALVENR-UHFFFAOYSA-N
SMILES:
Oc1cc(O)cc(c1)O.O.O
UNII:
0X7B22BRG1
Properties
Complexity:
63.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
162.141g/mol
Monoisotopic Mass:
162.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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