Chemical ID: 6678782

COC(=O)CNc1ccccc1C(=O)OC
Chemical ID:
6678782
Name [?]:
methyl 2-(methoxycarbonylmethylamino)benzoate
SMILES [?]:
COC(=O)CNc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C11H13NO4/c1-15-10(13)7-12-9-6-4-3-5-8(9)11(14)16-2/h3-6,12H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,10,9,11,8,5,12,7,3,13,6,4,14,2,15/rA:16nCOCOCNCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.03395
Area:408.92
Solvation:-3.18904
Coulombic:-50.6815
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:223.225
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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