Chemical ID: 7245699

CCOc1cc(c(cc1OC)N)C(=O)O
Chemical ID:
7245699
Name [?]:
2-amino-5-ethoxy-4-methoxy-benzoic acid
SMILES [?]:
CCOc1cc(c(cc1OC)N)C(=O)O
InChi [?]:
InChI=1/C10H13NO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,2,5,8,6,7,9,4,13,12,14,15,10,3/E:(12,13)/rA:15nCCOCCCCCCOCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s6;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO4
All Atoms:28
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.86769
Area:382.457
Solvation:-4.69373
Coulombic:-57.1042
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.215
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.45
LogP (Chemaxon):1.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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