Chemical ID: 6690491

CCOc1ccc(c(c1)C(=O)O)O
Chemical ID:
6690491
Name [?]:
5-ethoxy-2-hydroxy-benzoic acid
SMILES [?]:
CCOc1ccc(c(c1)C(=O)O)O
InChi [?]:
InChI=1/C9H10O4/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,9,4,8,7,10,13,11,12,3/E:(11,12)/rA:13nCCOCCCCCCCOOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.88203
Area:345.714
Solvation:-3.76083
Coulombic:-49.6365
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):2.02

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Descriptor Annotations

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