Chemical ID: 5045724

CCCCOC(=O)CC(c1ccccc1)O
Chemical ID:
5045724
Name [?]:
butyl 3-hydroxy-3-phenyl-propanoate
SMILES [?]:
CCCCOC(=O)CC(c1ccccc1)O
InChi [?]:
InChI=1/C13H18O3/c1-2-3-9-16-13(15)10-12(14)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,12,14,11,15,4,8,10,9,6,16,7,5/E:(5,6)(7,8)/rA:16cCCCCOCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.64727
Area:439.061
Solvation:-3.32925
Coulombic:-36.1773
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):2.54

Name Annotations

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Descriptor Annotations

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