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Chemical ID: 6687158
Chemical ID:
6687158
Name [?]:
(3-chloro-2-hydroxy-propyl) 2-methylprop-2-enoate
SMILES [?]:
CC(=C)C(=O)OCC(CCl)O
InChi [?]:
InChI=1/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3
InChi Info:
AuxInfo=1/0/N:3,1,9,7,2,8,4,10,11,5,6/rA:11cCCCCOOCCCClO/rB:s1;d2;s2;d4;s4;s6;s7;s8;s9;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11ClO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.64045 |
Area: | 361.541 |
Solvation: | -3.39807 |
Coulombic: | -36.5798 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 178.613 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.77 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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