Chemical ID: 6693069

CCOC(=O)Cc1cccc(c1)C
Chemical ID:
6693069
Name [?]:
ethyl 2-(m-tolyl)acetate
SMILES [?]:
CCOC(=O)Cc1cccc(c1)C
InChi [?]:
InChI=1/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,9,10,8,12,6,11,7,4,5,3/rA:13nCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.26222
Area:368.847
Solvation:-1.95895
Coulombic:-19.3169
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.228
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.63
LogP (Chemaxon):2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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