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Chemical ID: 4664075
Chemical ID:
4664075
Name [?]:
7-methyl-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1OC(CO2)C(=O)O
InChi [?]:
InChI=1/C10H10O4/c1-6-3-2-4-7-9(6)14-8(5-13-7)10(11)12/h2-4,8H,5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,10,2,6,9,7,12,13,14,11,8/E:(11,12)/rA:14cCCCCCCCOCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.63556 |
Area: | 345.509 |
Solvation: | -3.00218 |
Coulombic: | -44.6353 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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