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Chemical ID: 7244363
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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