Chemical ID: 4260451

COC(=O)c1ccccc1
Chemical ID:
4260451
Name [?]:
methyl benzoate
SMILES [?]:
COC(=O)c1ccccc1
InChi [?]:
InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,6,10,5,3,4,2/E:(3,4)(5,6)/rA:10nCOCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.04352
Area:297.963
Solvation:-1.40555
Coulombic:-21.4587
Bond Count [?]
All:10
Single:6
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:136.148
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.96
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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