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Chemical ID: 7468322
Chemical ID:
7468322
Name [?]:
(4-formylphenyl) 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H14O4/c1-2-19-14-9-5-13(6-10-14)16(18)20-15-7-3-12(11-17)4-8-15/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,17,6,8,14,18,5,9,19,16,7,4,13,10,20,11,3,12/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCOCCCCCCCOOCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99355 |
Area: | 483.942 |
Solvation: | -4.10501 |
Coulombic: | -34.9932 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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