Chemical ID: 5160853

Cc1cc(=O)cc(o1)C(=O)O
Chemical ID:
5160853
Name [?]:
6-methyl-4-oxo-pyran-2-carboxylic acid
SMILES [?]:
Cc1cc(=O)cc(o1)C(=O)O
InChi [?]:
InChI=1/C7H6O4/c1-4-2-5(8)3-6(11-4)7(9)10/h2-3H,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,6,2,4,7,9,5,10,11,8/E:(9,10)/rA:11nCCCCOCCOCOO/rB:s1;d2;s3;d4;s4;d6;s2s7;s7;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.76973
Area:309.245
Solvation:-2.96138
Coulombic:-42.1189
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:154.12
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.19
LogP (Chemaxon):0.07

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Descriptor Annotations

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