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Chemical ID: 6660012
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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