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16761-08-3 | 1,3-Dioxol-2-one, 4-phenyl-
CAS No: 16761-08-3 Catalog No: AG001XHM MDL No:
Product Description
Catalog Number:
AG001XHM
Chemical Name:
1,3-Dioxol-2-one, 4-phenyl-
CAS Number:
16761-08-3
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
IUPAC Name:
4-phenyl-1,3-dioxol-2-one
InChI:
InChI=1S/C9H6O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
InChI Key:
VMAJRFCXVOIAAS-UHFFFAOYSA-N
SMILES:
O=c1occ(o1)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.144g/mol
Monoisotopic Mass:
162.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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