Chemical ID: 5093057

CCOC(=O)c1ccccc1
Chemical ID:
5093057
Name [?]:
ethyl benzoate
SMILES [?]:
CCOC(=O)c1ccccc1
InChi [?]:
InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,11,6,4,5,3/E:(4,5)(6,7)/rA:11nCCOCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.83664
Area:324.513
Solvation:-1.27619
Coulombic:-21.7675
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.38
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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