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Chemical ID: 7089910
Chemical ID:
7089910
Name [?]:
2-[4-(2-methoxyphenyl)phenyl]acetic acid
SMILES [?]:
COc1ccccc1c2ccc(cc2)CC(=O)O
InChi [?]:
InChI=1/C15H14O3/c1-18-14-5-3-2-4-13(14)12-8-6-11(7-9-12)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,11,13,10,14,15,12,9,8,3,16,17,18,2/E:(6,7)(8,9)(16,17)/rA:18nCOCCCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O3 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07717 |
Area: | 432.375 |
Solvation: | -3.73222 |
Coulombic: | -34.9222 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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