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Chemical ID: 4581895
Chemical ID:
4581895
Name [?]:
7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
SMILES [?]:
CC1(C2CC=C(C1C2)C=O)C
InChi [?]:
InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,5,4,8,9,6,3,7,2,10/E:(1,2)/rA:11cCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s2s6;s3s7;s6;d9;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.9655 |
Area: | 306.002 |
Solvation: | -1.68455 |
Coulombic: | -8.45934 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.77 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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