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Chemical ID: 6697376
Chemical ID:
6697376
Name [?]:
2,4-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-amine
SMILES [?]:
c1cc2c(cc1N)COCO2
InChi [?]:
InChI=1/C8H9NO2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-3H,4-5,9H2
InChi Info:
AuxInfo=1/0/N:1,2,5,8,10,4,6,3,7,9,11/rA:11nCCCCCCNCOCO/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: | 4.27363 |
Area: | 294.801 |
Solvation: | -3.0964 |
Coulombic: | -32.1623 |
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: | 0.75 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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