Chemical ID: 4258737

c1cc2c(cc1N)OCCO2
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

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Descriptor Annotations

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