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Chemical ID: 3990095
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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