Chemical ID: 7231193

COc1ccc(cc1)C(CC(=O)O)[NH3+]
Chemical ID:
7231193
Name [?]:
[2-carboxy-1-(4-methoxyphenyl)-ethyl]ammonium
SMILES [?]:
COc1ccc(cc1)C(CC(=O)O)[NH3+]
InChi [?]:
InChI=1/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,10,6,3,9,11,14,12,13,2/E:(2,3)(4,5)(12,13)/rA:14cCOCCCCCCCCCOON+/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14NO3+
All Atoms:28
Heavy Atoms:14
Chiral Atoms:None
ZAP Information [?]
Total:-31.2692
Area:372.687
Solvation:-40.5864
Coulombic:11.2164
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.7
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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