Chemical ID: 6681564

c1ccc(cc1)C2CCC(=O)O2
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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