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Chemical ID: 4260657
Chemical ID:
4260657
Name [?]:
3-(4-chlorophenoxy)propane-1,2-diol
SMILES [?]:
c1cc(ccc1OCC(CO)O)Cl
InChi [?]:
InChI=1/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,10,8,3,9,6,13,11,12,7/E:(1,2)(3,4)/rA:13cCCCCCCOCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s9;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11ClO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.03102 |
Area: | 381.202 |
Solvation: | -5.49903 |
Coulombic: | -40.272 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 202.635 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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