Chemical ID: 5025805

CCCC(=O)OCCCc1ccccc1
Chemical ID:
5025805
Name [?]:
3-phenylpropyl butanoate
SMILES [?]:
CCCC(=O)OCCCc1ccccc1
InChi [?]:
InChI=1/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,8,3,11,15,9,7,10,4,5,6/E:(4,5)(8,9)/rA:15nCCCCOOCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.91646
Area:430.211
Solvation:-1.8388
Coulombic:-20.4681
Bond Count [?]
All:15
Single:11
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:206.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):3.31

Name Annotations

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Descriptor Annotations

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