Chemical ID: 6336097

COC(=O)c1ccc(cc1)C(=O)[O-]
Chemical ID:
6336097
Name [?]:
4-methoxycarbonylbenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C(=O)[O-]
InChi [?]:
InChI=1/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,8,5,11,3,12,13,4,2/E:(2,3)(4,5)(10,11)/rA:13nCOCOCCCCCCCOO-/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7O4-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-34.2799
Area:348.223
Solvation:-42.9854
Coulombic:-21.3264
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:179.149
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.09
LogP (Chemaxon):1.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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