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Chemical ID: 4258737
Chemical ID:
4258737
Name [?]:
2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-amine
SMILES [?]:
c1cc2c(cc1N)OCCO2
InChi [?]:
InChI=1/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2
InChi Info:
AuxInfo=1/0/N:1,2,10,9,5,6,3,4,7,11,8/rA:11nCCCCCCNOCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s3s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.99903 |
Area: | 294.17 |
Solvation: | -2.35522 |
Coulombic: | -32.759 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 151.163 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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