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116668-56-5

116668-56-5 | 2,5-Furandione, dihydro-3-phenyl-, (3S)-

CAS No: 116668-56-5 Catalog No: AG000CY7 MDL No:MFCD27922572

Product Description

Catalog Number:
AG000CY7
Chemical Name:
2,5-Furandione, dihydro-3-phenyl-, (3S)-
CAS Number:
116668-56-5
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD27922572
IUPAC Name:
(3S)-3-phenyloxolane-2,5-dione
InChI:
InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1
InChI Key:
HDFKMLFDDYWABF-QMMMGPOBSA-N
SMILES:
O=C1OC(=O)C[C@H]1c1ccccc1

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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