Chemical ID: 4121290

c1cc(oc1CO)C(=O)O
Chemical ID:
4121290
Name [?]:
5-(hydroxymethyl)furan-2-carboxylic acid
SMILES [?]:
c1cc(oc1CO)C(=O)O
InChi [?]:
InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,3,8,7,9,10,4/E:(8,9)/rA:10nCCCOCCOCOO/rB:s1;d2;s3;d1s4;s5;s6;s3;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6O4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:3.76166
Area:297.305
Solvation:-3.67095
Coulombic:-51.8749
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:142.109
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.46
LogP (Chemaxon):-0.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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