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Chemical ID: 7231193
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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