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Chemical ID: 4678315
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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