Chemical ID: 3964475

COc1cc(cc(c1C=O)OC)O
Chemical ID:
3964475
Name [?]:
4-hydroxy-2,6-dimethoxy-benzaldehyde
SMILES [?]:
COc1cc(cc(c1C=O)OC)O
InChi [?]:
InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,6,9,5,8,3,7,10,13,2,11/E:(1,2)(3,4)(8,9)(12,13)/rA:13nCOCCCCCCCOOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s7;s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.09542
Area:339.537
Solvation:-5.39301
Coulombic:-35.3731
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.14
LogP (Chemaxon):0.93

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Descriptor Annotations

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