Chemical ID: 3995009

Cc1cccc(c1)OC(C)C(=O)O
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

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Descriptor Annotations

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