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Chemical ID: 7470840
Chemical ID:
7470840
Name [?]:
(4-formyl-2-methoxy-phenyl) 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)Oc2ccc(cc2OC)C=O
InChi [?]:
InChI=1/C16H14O4/c1-11-5-3-4-6-13(11)16(18)20-14-8-7-12(10-17)9-15(14)19-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,5,3,6,13,12,15,19,2,14,7,11,16,8,20,9,17,10/rA:20nCCCCCCCCOOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24781 |
Area: | 461.587 |
Solvation: | -4.29186 |
Coulombic: | -35.4267 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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