Chemical ID: 4254639

c1ccc2c(c1)C(=O)N(C2=O)c3ccc(c(c3)C(=O)O)O
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

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