Chemical ID: 7195961

CC1=CC(=O)N(C1=O)c2cccc(c2)C(=O)[O-]
Chemical ID:
7195961
Name [?]:
3-(3-methyl-2,5-dioxo-pyrrol-1-yl)benzoate
SMILES [?]:
CC1=CC(=O)N(C1=O)c2cccc(c2)C(=O)[O-]
InChi [?]:
InChI=1/C12H9NO4/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(6-9)12(16)17/h2-6H,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,12,10,3,14,2,13,9,4,7,15,6,5,8,16,17/E:(16,17)/rA:17nCCCCONCOCCCCCCCOO-/rB:s1;d2;s3;d4;s4;s2s6;d7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8NO4-
All Atoms:25
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-35.8926
Area:392.124
Solvation:-45.6957
Coulombic:-24.2769
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.196
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.31
LogP (Chemaxon):1.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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