Chemical ID: 5131470

Cc1ccc(o1)c2cccc(=O)o2
Chemical ID:
5131470
Name [?]:
6-(5-methyl-2-furyl)pyran-2-one
SMILES [?]:
Cc1ccc(o1)c2cccc(=O)o2
InChi [?]:
InChI=1/C10H8O3/c1-7-5-6-9(12-7)8-3-2-4-10(11)13-8/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,3,4,2,7,5,11,12,6,13/rA:13nCCCCCOCCCCCOO/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;d9;s10;d11;s7s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.17941
Area:343.346
Solvation:-2.40423
Coulombic:-26.4109
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.169
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.31
LogP (Chemaxon):1.13

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Experimental Annotations

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Descriptor Annotations

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