Chemical ID: 7468322

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=O
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

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