Chemical ID: 6697376

c1cc2c(cc1N)COCO2
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

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Experimental Annotations

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Descriptor Annotations

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