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119215-85-9 | 4H-1,3-Dioxin-4-one, 2-phenyl-, (2R)-
CAS No: 119215-85-9 Catalog No: AG000IE0 MDL No:
Product Description
Catalog Number:
AG000IE0
Chemical Name:
4H-1,3-Dioxin-4-one, 2-phenyl-, (2R)-
CAS Number:
119215-85-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
2-phenyl-1,3-dioxin-4-one
InChI:
InChI=1S/C10H8O3/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7,10H
InChI Key:
ADKVMZURSKDMIQ-UHFFFAOYSA-N
SMILES:
O=C1C=CO[C@H](O1)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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