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Chemical ID: 3964475
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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