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Chemical ID: 5576871
Chemical ID:
5576871
Name [?]:
methyl 2,2-dimethyl-3-phenyl-propanoate
SMILES [?]:
CC(C)(Cc1ccccc1)C(=O)OC
InChi [?]:
InChI=1/C12H16O2/c1-12(2,11(13)14-3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,8,7,9,6,10,4,5,11,2,12,13/E:(1,2)(5,6)(7,8)/rA:14nCCCCCCCCCCCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s2;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59868 |
Area: | 369.677 |
Solvation: | -1.64324 |
Coulombic: | -20.9368 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.43 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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