Chemical ID: 3998159

c1ccc(c(c1)C(=O)c2cnoc2)O
Chemical ID:
3998159
Name [?]:
(2-hydroxyphenyl)-isoxazol-4-yl-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)c2cnoc2)O
InChi [?]:
InChI=1/C10H7NO3/c12-9-4-2-1-3-8(9)10(13)7-5-11-14-6-7/h1-6,12H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,13,9,5,4,7,11,14,8,12/rA:14nCCCCCCCOCCNOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d9s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.24647
Area:347.834
Solvation:-3.44936
Coulombic:-27.2856
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.168
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.24
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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