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Chemical ID: 5240961
Chemical ID:
5240961
Name [?]:
(2-phenyl-4,5-dihydrooxazol-4-yl)methanol
SMILES [?]:
c1ccc(cc1)C2=NC(CO2)CO
InChi [?]:
InChI=1/C10H11NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,4,9,7,8,13,11/E:(2,3)(4,5)/rA:13cCCCCCCCNCCOCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7s10;s9;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.13771 |
Area: | 349.704 |
Solvation: | -3.60488 |
Coulombic: | -31.9667 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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