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Chemical ID: 7154899
Chemical ID:
7154899
Name [?]:
2-benzyloxy-3-methoxy-benzoic acid
SMILES [?]:
COc1cccc(c1OCc2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H14O4/c1-18-13-9-5-8-12(15(16)17)14(13)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,5,12,16,6,4,10,11,7,3,8,17,18,19,2,9/E:(3,4)(6,7)(16,17)/rA:19nCOCCCCCCOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s7;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O4 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.06005 |
Area: | 435.133 |
Solvation: | -4.81828 |
Coulombic: | -43.5994 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 258.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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