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Chemical ID: 3995009
Chemical ID:
3995009
Name [?]:
2-(3-methylphenoxy)propanoic acid
SMILES [?]:
Cc1cccc(c1)OC(C)C(=O)O
InChi [?]:
InChI=1/C10H12O3/c1-7-4-3-5-9(6-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,4,3,5,7,2,9,6,11,12,13,8/E:(11,12)/rA:13cCCCCCCCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.01214 |
Area: | 355.053 |
Solvation: | -2.86418 |
Coulombic: | -35.9497 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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