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Home > Other Building Blocks > 114364-47-5
114364-47-5 | 1,3-Oxathiolane, 5-phenyl- (9CI)
CAS No: 114364-47-5 Catalog No: AG000B6O MDL No:
Product Description
Catalog Number:
AG000B6O
Chemical Name:
1,3-Oxathiolane, 5-phenyl- (9CI)
CAS Number:
114364-47-5
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
IUPAC Name:
5-phenyl-1,3-oxathiolane
InChI:
InChI=1S/C9H10OS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,9H,6-7H2
InChI Key:
FWNFGEVVMXTVOD-UHFFFAOYSA-N
SMILES:
S1COC(C1)c1ccccc1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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