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Chemical ID: 7238342
Chemical ID:
7238342
Name [?]:
(4-ethoxycarbonylphenyl)ammonium
SMILES [?]:
CCOC(=O)c1ccc(cc1)[NH3+]
InChi [?]:
InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,11,8,10,6,9,4,12,5,3/E:(3,4)(5,6)/rA:12nCCOCOCCCCCCN+/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
| Formula: | C9H12NO2+ |
| All Atoms: | 24 |
| Heavy Atoms: | 12 |
| Chiral Atoms: | None |
ZAP Information [?]
| Total: | -32.7495 |
| Area: | 344.851 |
| Solvation: | -41.3707 |
| Coulombic: | 24.7669 |
Bond Count [?]
| All: | 12 |
| Single: | 8 |
| Double: | 4 |
| Rotors: | 3 |
| Chiral: | None |
| Rigid Segments: | None |
Chemical Properties
| Molecular Weight: | None |
| H-Bond Donors: | None |
| H-Bond Acceptors: | None |
| XLogP: | 1.56 |
| LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
| Chemical Mix | Source | External ID | Descriptor | Value |
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