Chemical ID: 6683228

Cc1ccc(cc1)C(=O)OC
Chemical ID:
6683228
Name [?]:
methyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OC
InChi [?]:
InChI=1/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,3,7,4,6,2,5,8,9,10/E:(3,4)(5,6)/rA:11nCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.5723
Area:319.161
Solvation:-1.40671
Coulombic:-21.2087
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.39
LogP (Chemaxon):2.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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