Chemical ID: 4744112

c1ccc(cc1)c2c(noc2O)O
Chemical ID:
4744112
Name [?]:
4-phenylisoxazole-3,5-diol
SMILES [?]:
c1ccc(cc1)c2c(noc2O)O
InChi [?]:
InChI=1/C9H7NO3/c11-8-7(9(12)13-10-8)6-4-2-1-3-5-6/h1-5,12H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,11,9,13,12,10/E:(2,3)(4,5)/rA:13nCCCCCCCCNOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s11;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.90458
Area:333.399
Solvation:-2.43038
Coulombic:-40.7074
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.157
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.61
LogP (Chemaxon):2.31

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Descriptor Annotations

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