Chemical ID: 5157613

c1c(c(cc2c1OCCO2)N)C(=O)O
Chemical ID:
5157613
Name [?]:
9-amino-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-carboxylic acid
SMILES [?]:
c1c(c(cc2c1OCCO2)N)C(=O)O
InChi [?]:
InChI=1/C9H9NO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:8,9,1,4,2,3,6,5,12,11,13,14,7,10/E:(11,12)/rA:14nCCCCCCOCCONCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s3;s2;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.4177
Area:339.812
Solvation:-3.0776
Coulombic:-59.3131
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:195.172
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.08
LogP (Chemaxon):0.75

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