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Chemical ID: 6657566
Chemical ID:
6657566
Name [?]:
(5-formyl-2-methoxy-phenyl) acetate
SMILES [?]:
CC(=O)Oc1cc(ccc1OC)C=O
InChi [?]:
InChI=1/C10H10O4/c1-7(12)14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,9,6,13,2,7,10,5,14,3,11,4/rA:14nCCOOCCCCCCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s7;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.86766 |
Area: | 363.925 |
Solvation: | -4.23046 |
Coulombic: | -31.5465 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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