Chemical ID: 3998292

COc1cc(cc(c1O)O)C=O
Chemical ID:
3998292
Name [?]:
3,4-dihydroxy-5-methoxy-benzaldehyde
SMILES [?]:
COc1cc(cc(c1O)O)C=O
InChi [?]:
InChI=1/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,4,11,5,7,3,8,12,10,9,2/rA:12nCOCCCCCCOOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.23329
Area:324.717
Solvation:-5.88462
Coulombic:-44.662
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.147
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.25
LogP (Chemaxon):0.9

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Descriptor Annotations

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