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Chemical ID: 6662012
Chemical ID:
6662012
Name [?]:
N-(4-ethoxyphenyl)formamide
SMILES [?]:
CCOc1ccc(cc1)NC=O
InChi [?]:
InChI=1/C9H11NO2/c1-2-12-9-5-3-8(4-6-9)10-7-11/h3-7H,2H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,11,7,4,10,12,3/E:(3,4)(5,6)/rA:12nCCOCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07499 |
Area: | 335.567 |
Solvation: | -3.31418 |
Coulombic: | -26.1921 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.189 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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