Chemical ID: 4727743

CCOC(=O)CCc1ccc(cc1)O
Chemical ID:
4727743
Name [?]:
ethyl 3-(4-hydroxyphenyl)propanoate
SMILES [?]:
CCOC(=O)CCc1ccc(cc1)O
InChi [?]:
InChI=1/C11H14O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7,12H,2,5,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,13,7,10,12,6,8,11,4,14,5,3/E:(3,4)(6,7)/rA:14nCCOCOCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.13485
Area:394.336
Solvation:-2.72354
Coulombic:-34.7553
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:1.96
LogP (Chemaxon):2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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