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Chemical ID: 6681564
Chemical ID:
6681564
Name [?]:
5-phenyltetrahydrofuran-2-one
SMILES [?]:
c1ccc(cc1)C2CCC(=O)O2
InChi [?]:
InChI=1/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,9,4,7,10,11,12/E:(2,3)(4,5)/rA:12cCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.40705 |
Area: | 324.912 |
Solvation: | -2.71576 |
Coulombic: | -18.4961 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.185 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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