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Chemical ID: 4260669
Chemical ID:
4260669
Name [?]:
ethyl 2-(4-aminophenyl)acetate
SMILES [?]:
CCOC(=O)Cc1ccc(cc1)N
InChi [?]:
InChI=1/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,12,9,11,6,7,10,4,13,5,3/E:(3,4)(5,6)/rA:13nCCOCOCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88149 |
Area: | 365.25 |
Solvation: | -2.24977 |
Coulombic: | -34.9682 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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