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Chemical ID: 6405055
Chemical ID:
6405055
Name [?]:
(4-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-3-enyl)oxysodium
SMILES [?]:
CC(=O)C1=C(CC2C1C2(C)C)O[Na]
InChi [?]:
InChI=1/C10H14O2.Na/c1-5(11)8-7(12)4-6-9(8)10(6,2)3;/h6,9,12H,4H2,1-3H3;/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,10,11,6,2,7,5,4,8,9,3,12;13/E:(2,3);/rA:13cCCOCCCCCCCCONa/rB:s1;d2;s2;d4;s5;s6;s4s7;s7s8;s9;s9;s5;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NaO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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