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7714-50-3 | 2-PHENOXYMETHYL-1,4-BENZOQUINONE
CAS No: 7714-50-3 Catalog No: AG0055IP MDL No:
Product Description
Catalog Number:
AG0055IP
Chemical Name:
2-PHENOXYMETHYL-1,4-BENZOQUINONE
CAS Number:
7714-50-3
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
2-(phenoxymethyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C13H10O3/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
SWNCJNQLRHPSSP-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C=C1COc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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