Chemical ID: 7244363

c1ccc2c(c1)nc(o2)CCC(=O)O
Chemical ID:
7244363
Name [?]:
3-benzooxazol-2-ylpropanoic acid
SMILES [?]:
c1ccc2c(c1)nc(o2)CCC(=O)O
InChi [?]:
InChI=1/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,5,4,8,12,7,13,14,9/E:(12,13)/rA:14nCCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO3
All Atoms:23
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.70628
Area:364.383
Solvation:-2.40329
Coulombic:-39.2446
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.183
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.81
LogP (Chemaxon):1.8

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