Chemical ID: 4123028

c1cc(oc1)CCC(=O)O
Chemical ID:
4123028
Name [?]:
3-(2-furyl)propanoic acid
SMILES [?]:
c1cc(oc1)CCC(=O)O
InChi [?]:
InChI=1/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,3,8,9,10,4/E:(8,9)/rA:10nCCCOCCCCOO/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.84591
Area:303.744
Solvation:-2.74768
Coulombic:-31.5158
Bond Count [?]
All:10
Single:7
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.137
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.32
LogP (Chemaxon):0.88

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Descriptor Annotations

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