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Chemical ID: 4663698
Chemical ID:
4663698
Name [?]:
2-methyl-1-(p-tolyl)propan-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C(C)C
InChi [?]:
InChI=1/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:11,12,1,3,7,4,6,10,2,5,8,9/E:(1,2)(4,5)(6,7)/rA:12nCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02904 |
Area: | 341.225 |
Solvation: | -1.50158 |
Coulombic: | -9.81337 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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