Chemical ID: 3990095

COc1ccccc1OCCC(=O)O
Chemical ID:
3990095
Name [?]:
3-(2-methoxyphenoxy)propanoic acid
SMILES [?]:
COc1ccccc1OCCC(=O)O
InChi [?]:
InChI=1/C10H12O4/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,11,10,3,8,12,13,14,2,9/E:(11,12)/rA:14nCOCCCCCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.84425
Area:376.152
Solvation:-4.55954
Coulombic:-40.6716
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.2
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.12
LogP (Chemaxon):1.26

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Descriptor Annotations

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