Chemical ID: 4097427

CCOC(=O)CC(c1ccccc1)O
Chemical ID:
4097427
Name [?]:
ethyl 3-hydroxy-3-phenyl-propanoate
SMILES [?]:
CCOC(=O)CC(c1ccccc1)O
InChi [?]:
InChI=1/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,13,6,8,7,4,14,5,3/E:(4,5)(6,7)/rA:14cCCOCOCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.28995
Area:386.136
Solvation:-3.36346
Coulombic:-35.3871
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.227
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.6
LogP (Chemaxon):1.68

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Descriptor Annotations

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