Chemical ID: 4736625

Cc1cc(ccc1N)C(=O)OC
Chemical ID:
4736625
Name [?]:
methyl 4-amino-3-methyl-benzoate
SMILES [?]:
Cc1cc(ccc1N)C(=O)OC
InChi [?]:
InChI=1/C9H11NO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,5,6,3,2,4,7,9,8,10,11/rA:12nCCCCCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.74667
Area:335.7
Solvation:-1.64583
Coulombic:-36.5945
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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