Chemical ID: 6622515

c1ccc(c(c1)C(=O)N)C(=O)[O-]
Chemical ID:
6622515
Name [?]:
2-carbamoylbenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)N)C(=O)[O-]
InChi [?]:
InChI=1/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,9,8,11,12/E:(11,12)/rA:12nCCCCCCCONCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6NO3-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-36.9116
Area:309.378
Solvation:-44.646
Coulombic:-23.0311
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.138
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.04
LogP (Chemaxon):0.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue