Chemical ID: 6660012

c1ccc(cc1)CC2=C(COC2=O)O
Chemical ID:
6660012
Name [?]:
3-benzyl-4-hydroxy-5H-furan-2-one
SMILES [?]:
c1ccc(cc1)CC2=C(COC2=O)O
InChi [?]:
InChI=1/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,10,4,8,9,12,14,13,11/E:(2,3)(4,5)/rA:14nCCCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;s8s11;d12;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.78511
Area:350.386
Solvation:-2.97453
Coulombic:-35.8143
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.195
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.57
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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