Chemical ID: 7470840

Cc1ccccc1C(=O)Oc2ccc(cc2OC)C=O
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

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Descriptor Annotations

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