Chemical ID: 4678315

CC(=O)Nc1ccccc1C(=O)OC
Chemical ID:
4678315
Name [?]:
methyl 2-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,14,8,7,9,6,2,10,5,11,4,3,12,13/rA:14nCCONCCCCCCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.75212
Area:361.762
Solvation:-2.29193
Coulombic:-39.8068
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.199
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.64
LogP (Chemaxon):1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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