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Chemical ID: 4774198
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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