Chemical ID: 6833953

CCc1ccc(cc1)C(=O)[O-]
Chemical ID:
6833953
Name [?]:
4-ethylbenzoate
SMILES [?]:
CCc1ccc(cc1)C(=O)[O-]
InChi [?]:
InChI=1/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,3,6,9,10,11/E:(3,4)(5,6)(10,11)/rA:11nCCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9O2-
All Atoms:20
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-35.0869
Area:315.869
Solvation:-42.9837
Coulombic:-1.52005
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:149.167
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.06
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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