Chemical ID: 6687158

CC(=C)C(=O)OCC(CCl)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue