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Chemical ID: 4997457
Chemical ID:
4997457
Name [?]:
3-(2-chlorophenoxy)propanoic acid
SMILES [?]:
c1ccc(c(c1)OCCC(=O)O)Cl
InChi [?]:
InChI=1/C9H9ClO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,9,8,4,5,10,13,11,12,7/E:(11,12)/rA:13nCCCCCCOCCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s10;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9ClO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69577 |
Area: | 373.119 |
Solvation: | -2.63221 |
Coulombic: | -34.7103 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.1 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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