Chemical ID: 6689311

COC(=O)C(c1ccc(cc1)O)N
Chemical ID:
6689311
Name [?]:
methyl 2-amino-2-(4-hydroxyphenyl)-acetate
SMILES [?]:
COC(=O)C(c1ccc(cc1)O)N
InChi [?]:
InChI=1/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,8,10,6,9,5,3,13,12,4,2/E:(2,3)(4,5)/rA:13cCOCOCCCCCCCON/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.8029
Area:351.693
Solvation:-2.98942
Coulombic:-47.9298
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:181.189
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.31
LogP (Chemaxon):0.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue