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Chemical ID: 6530097
Chemical ID:
6530097
Name [?]:
1,2,3,3a,4,5-hexahydroacenaphthlene
SMILES [?]:
c1cc2c3c(c1)CCC3CCC2
InChi [?]:
InChI=1/C12H14/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,11H,2,4,6-8H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,7,8,3,5,9,4/rA:12cCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s3s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.14587 |
Area: | 306.281 |
Solvation: | -0.511156 |
Coulombic: | -2.01685 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 158.24 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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