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Chemical ID: 7470846

Chemical ID:

7470846

Name [?]:

(4-formyl-2-methoxy-phenyl) 2-(4-chloro-2-methyl-phenoxy)acetate

SMILES [?]:

Cc1cc(ccc1OCC(=O)Oc2ccc(cc2OC)C=O)Cl

InChi [?]:

InChI=1/C17H15ClO5/c1-11-7-13(18)4-6-14(11)22-10-17(20)23-15-5-3-12(9-19)8-16(15)21-2/h3-9H,10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,15,5,14,6,3,17,21,9,2,16,4,7,13,18,10,23,22,11,19,8,12/rA:23nCCCCCCCOCCOOCCCCCCOCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅ClO₅
All Atoms:	38
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.29239
Area:	550.816
Solvation:	-6.47802
Coulombic:	-40.5976

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.751
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.26
LogP (Chemaxon):	3.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value