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Chemical ID: 7088360
Chemical ID:
7088360
Name [?]:
5-(3-chlorophenyl)-5-oxo-pentanoic acid
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C11H11ClO3/c12-9-4-1-3-8(7-9)10(13)5-2-6-11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,4,3,5,8,13,7,9,14,15/E:(14,15)/rA:15nCCCCCCClCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11ClO3 |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25273 |
Area: | 421.782 |
Solvation: | -3.29182 |
Coulombic: | -33.9382 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.656 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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