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Chemical ID: 4254639
Chemical ID:
4254639
Name [?]:
5-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-benzoic acid
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(c(c3)C(=O)O)O
InChi [?]:
InChI=1/C15H9NO5/c17-12-6-5-8(7-11(12)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,17,12,5,4,16,15,7,10,18,9,21,8,11,19,20/E:(1,2)(3,4)(9,10)(13,14)(18,19)(20,21)/rA:21nCCCCCCCONCOCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9NO5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.34789 |
Area: | 443.528 |
Solvation: | -3.74032 |
Coulombic: | -69.3623 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 283.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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