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Chemical ID: 6690145
Chemical ID:
6690145
Name [?]:
ethyl 3-(3-chlorophenyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1cccc(c1)Cl
InChi [?]:
InChI=1/C11H11ClO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,14,6,9,13,7,4,15,8,5,3/rA:15nCCOCOCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11ClO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63253 |
Area: | 415.28 |
Solvation: | -3.74946 |
Coulombic: | -24.7793 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.656 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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