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Chemical ID: 6510418
Chemical ID:
6510418
Name [?]:
isopropyl bicyclo[2.2.1]hept-2-ene-5-carboxylate
SMILES [?]:
CC(C)OC(=O)C1CC2CC1C=C2
InChi [?]:
InChI=1/C11H16O2/c1-7(2)13-11(12)10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,10,8,2,9,11,7,5,6,4/E:(1,2)/rA:13cCCCOCOCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.52594 |
Area: | 352.036 |
Solvation: | -1.27497 |
Coulombic: | -20.1481 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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