Chemical ID: 6674880

COC(=O)c1ccc(c(c1O)C=O)O
Chemical ID:
6674880
Name [?]:
methyl 3-formyl-2,4-dihydroxy-benzoate
SMILES [?]:
COC(=O)c1ccc(c(c1O)C=O)O
InChi [?]:
InChI=1/C9H8O5/c1-14-9(13)5-2-3-7(11)6(4-10)8(5)12/h2-4,11-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,12,5,9,8,10,3,13,14,11,4,2/rA:14nCOCOCCCCCCOCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s9;d12;s8;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:3.78699
Area:353.585
Solvation:-5.05262
Coulombic:-56.1855
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.157
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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