Chemical ID: 7134509

c1ccc(cc1)c2cc(no2)C(=O)[O-]
Chemical ID:
7134509
Name [?]:
5-phenylisoxazole-3-carboxylate
SMILES [?]:
c1ccc(cc1)c2cc(no2)C(=O)[O-]
InChi [?]:
InChI=1/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,9,7,12,10,13,14,11/E:(2,3)(4,5)(12,13)/rA:14nCCCCCCCCCNOCOO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6NO3-
All Atoms:20
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-34.4042
Area:357.579
Solvation:-43.3437
Coulombic:-8.58811
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.16
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.75
LogP (Chemaxon):1.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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