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156150-40-2 | Phenol, sodium salt, hydrate (1:1:3)
CAS No: 156150-40-2 Catalog No: AG001OJN MDL No:MFCD00149636
Product Description
Catalog Number:
AG001OJN
Chemical Name:
Phenol, sodium salt, hydrate (1:1:3)
CAS Number:
156150-40-2
Molecular Formula:
C6H12NaO4
Molecular Weight:
171.1469
MDL Number:
MFCD00149636
IUPAC Name:
sodium;phenoxide;trihydrate
InChI:
InChI=1S/C6H6O.Na.3H2O/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;3*1H2/q;+1;;;/p-1
InChI Key:
QAJGUMORHHJFNJ-UHFFFAOYSA-M
SMILES:
Oc1ccccc1.O.O.O.[Na]
Properties
Complexity:
50.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.14g/mol
Monoisotopic Mass:
170.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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