Chemical ID: 6919749

CC(C1=CC=CC(C1O)O)C(=O)O
Chemical ID:
6919749
Name [?]:
2-(5,6-dihydroxy-1-cyclohexa-1,3-dienyl)propanoic acid
SMILES [?]:
CC(C1=CC=CC(C1O)O)C(=O)O
InChi [?]:
InChI=1/C9H12O4/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5,7-8,10-11H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,2,3,7,8,11,10,9,12,13/E:(12,13)/rA:13cCCCCCCCCOOCOO/rB:s1;s2;d3;s4;d5;s6;s3s7;s8;s7;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O4
All Atoms:25
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:4.83476
Area:332.207
Solvation:-3.4704
Coulombic:-60.7485
Bond Count [?]
All:13
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.189
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.64
LogP (Chemaxon):0.2

Name Annotations

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Descriptor Annotations

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