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Chemical ID: 7089912
Chemical ID:
7089912
Name [?]:
2-[3-(3-methoxyphenyl)phenyl]acetic acid
SMILES [?]:
COc1cccc(c1)c2cccc(c2)CC(=O)O
InChi [?]:
InChI=1/C15H14O3/c1-18-14-7-3-6-13(10-14)12-5-2-4-11(8-12)9-15(16)17/h2-8,10H,9H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,5,12,10,6,4,14,15,8,13,9,7,3,16,17,18,2/E:(16,17)/rA:18nCOCCCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O3 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22563 |
Area: | 437.446 |
Solvation: | -3.71052 |
Coulombic: | -34.7499 |
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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