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23305-16-0 | 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-phenyl-
CAS No: 23305-16-0 Catalog No: AG002MUD MDL No:
Product Description
Catalog Number:
AG002MUD
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-phenyl-
CAS Number:
23305-16-0
Molecular Formula:
C12H8O3
Molecular Weight:
200.1901
IUPAC Name:
4-hydroxy-5-phenylcyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C12H8O3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7,13H
InChI Key:
QXJZGUZUZUXJGU-UHFFFAOYSA-N
SMILES:
O=C1C=C(O)C(=O)C=C1c1ccccc1
NSC Number:
123508
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.193g/mol
Monoisotopic Mass:
200.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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