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136635-25-1 | Phenol, hydrate (1:3)
CAS No: 136635-25-1 Catalog No: AG00125Y MDL No:
Product Description
Catalog Number:
AG00125Y
Chemical Name:
Phenol, hydrate (1:3)
CAS Number:
136635-25-1
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
phenol;trihydrate
InChI:
InChI=1S/C6H6O.3H2O/c7-6-4-2-1-3-5-6;;;/h1-5,7H;3*1H2
InChI Key:
WYXXVGOCTHLIDW-UHFFFAOYSA-N
SMILES:
Oc1ccccc1.O.O.O
Properties
Complexity:
46.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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