Chemical ID: 4774198

C1C=CC2CC(CC1C2=O)C(=O)O
Chemical ID:
4774198
Name [?]:
9-oxobicyclo[3.3.1]non-7-ene-3-carboxylic acid
SMILES [?]:
C1C=CC2CC(CC1C2=O)C(=O)O
InChi [?]:
InChI=1/C10H12O3/c11-9-6-2-1-3-7(9)5-8(4-6)10(12)13/h1-2,6-8H,3-5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:2,3,1,5,7,4,8,6,9,11,10,12,13/E:(12,13)/rA:13cCCCCCCCCCOCOO/rB:s1;d2;s3;s4;s5;s6;s1s7;s4s8;d9;s6;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:5.40458
Area:325.256
Solvation:-2.72682
Coulombic:-33.7157
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:180.2
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.17
LogP (Chemaxon):1.61

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