Chemical ID: 6681758

COc1ccccc1CC(=O)O
Chemical ID:
6681758
Name [?]:
2-(2-methoxyphenyl)acetic acid
SMILES [?]:
COc1ccccc1CC(=O)O
InChi [?]:
InChI=1/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,8,3,10,11,12,2/E:(10,11)/rA:12nCOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.06242
Area:326.77
Solvation:-3.10684
Coulombic:-33.644
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.174
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.36
LogP (Chemaxon):1.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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