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100518-55-6 | Phenol, compd. with benzene (1:1)
CAS No: 100518-55-6 Catalog No: AG00028B MDL No:
Product Description
Catalog Number:
AG00028B
Chemical Name:
Phenol, compd. with benzene (1:1)
CAS Number:
100518-55-6
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
benzene;phenol
InChI:
InChI=1S/C6H6O.C6H6/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H;1-6H
InChI Key:
RRTCFFFUTAGOSG-UHFFFAOYSA-N
SMILES:
c1ccccc1.Oc1ccccc1
Properties
Complexity:
61.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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