Chemical ID: 5571058

CC(CC(=O)OC)c1ccccc1
Chemical ID:
5571058
Name [?]:
methyl 3-phenylbutanoate
SMILES [?]:
CC(CC(=O)OC)c1ccccc1
InChi [?]:
InChI=1/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,11,10,12,9,13,3,2,8,4,5,6/E:(4,5)(6,7)/rA:13cCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s2;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.25828
Area:362.05
Solvation:-1.79297
Coulombic:-19.8751
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:178.228
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.44
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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