Chemical ID: 5252073

CC(=O)Oc1ccc(cc1OC)C(=O)O
Chemical ID:
5252073
Name [?]:
4-acetoxy-3-methoxy-benzoic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(=O)O
InChi [?]:
InChI=1/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,7,6,9,2,8,5,10,13,3,14,15,11,4/E:(12,13)/rA:15nCCOOCCCCCCOCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.41198
Area:380.499
Solvation:-4.1005
Coulombic:-51.212
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:210.183
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.07
LogP (Chemaxon):0.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue