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Chemical ID: 5193251
Chemical ID:
5193251
Name [?]:
1-(4-methylphenoxy)propan-2-one
SMILES [?]:
Cc1ccc(cc1)OCC(=O)C
InChi [?]:
InChI=1/C10H12O2/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,7,4,6,9,2,10,5,11,8/E:(3,4)(5,6)/rA:12nCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.51003 |
Area: | 343.179 |
Solvation: | -4.06946 |
Coulombic: | -13.8765 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.201 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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