Chemical ID: 4664075

Cc1cccc2c1OC(CO2)C(=O)O
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

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Descriptor Annotations

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