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144796-97-4 | Phenol, hydrate (1:1)
CAS No: 144796-97-4 Catalog No: AG001K6O MDL No:
Product Description
Catalog Number:
AG001K6O
Chemical Name:
Phenol, hydrate (1:1)
CAS Number:
144796-97-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
phenol;hydrate
InChI:
InChI=1S/C6H6O.H2O/c7-6-4-2-1-3-5-6;/h1-5,7H;1H2
InChI Key:
KSSNXJHPEFVKHY-UHFFFAOYSA-N
SMILES:
Oc1ccccc1.O
Properties
Complexity:
46.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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