Chemical ID: 5248322

COC1=C(COC1=O)Cc2ccccc2
Chemical ID:
5248322
Name [?]:
4-benzyl-3-methoxy-5H-furan-2-one
SMILES [?]:
COC1=C(COC1=O)Cc2ccccc2
InChi [?]:
InChI=1/C12H12O3/c1-14-11-10(8-15-12(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,9,5,10,4,3,7,8,2,6/E:(3,4)(5,6)/rA:15nCOCCCOCOCCCCCCC/rB:s1;s2;d3;s4;s5;s3s6;d7;s4;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.21867
Area:377.111
Solvation:-3.2091
Coulombic:-29.4653
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.222
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.93
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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